From 5e87b85cf3896ddcae3598589b9269dd4dc19e2d Mon Sep 17 00:00:00 2001
From: "dependabot[bot]" <49699333+dependabot[bot]@users.noreply.github.com>
Date: Sat, 11 Feb 2023 02:21:04 +0000
Subject: [PATCH] Bump ipython from 8.7.0 to 8.10.0

Bumps [ipython](https://github.com/ipython/ipython) from 8.7.0 to 8.10.0.
- [Release notes](https://github.com/ipython/ipython/releases)
- [Commits](https://github.com/ipython/ipython/compare/8.7.0...8.10.0)

---
updated-dependencies:
- dependency-name: ipython
  dependency-type: indirect
...

Signed-off-by: dependabot[bot] <support@github.com>
---
 poetry.lock | 2566 ++++++++++++++++++++++++++-------------------------
 1 file changed, 1286 insertions(+), 1280 deletions(-)

diff --git a/poetry.lock b/poetry.lock
index 2ae8dde..982a13d 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -1,3 +1,5 @@
+# This file is automatically @generated by Poetry and should not be changed by hand.
+
 [[package]]
 name = "appnope"
 version = "0.1.3"
@@ -5,6 +7,10 @@ description = "Disable App Nap on macOS >= 10.9"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "appnope-0.1.3-py2.py3-none-any.whl", hash = "sha256:265a455292d0bd8a72453494fa24df5a11eb18373a60c7c0430889f22548605e"},
+    {file = "appnope-0.1.3.tar.gz", hash = "sha256:02bd91c4de869fbb1e1c50aafc4098827a7a54ab2f39d9dcba6c9547ed920e24"},
+]
 
 [[package]]
 name = "asttokens"
@@ -13,6 +19,10 @@ description = "Annotate AST trees with source code positions"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "asttokens-2.2.1-py2.py3-none-any.whl", hash = "sha256:6b0ac9e93fb0335014d382b8fa9b3afa7df546984258005da0b9e7095b3deb1c"},
+    {file = "asttokens-2.2.1.tar.gz", hash = "sha256:4622110b2a6f30b77e1473affaa97e711bc2f07d3f10848420ff1898edbe94f3"},
+]
 
 [package.dependencies]
 six = "*"
@@ -27,6 +37,9 @@ description = "Atomic file writes."
 category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
+files = [
+    {file = "atomicwrites-1.4.1.tar.gz", hash = "sha256:81b2c9071a49367a7f770170e5eec8cb66567cfbbc8c73d20ce5ca4a8d71cf11"},
+]
 
 [[package]]
 name = "attrs"
@@ -35,6 +48,10 @@ description = "Classes Without Boilerplate"
 category = "main"
 optional = false
 python-versions = ">=3.5"
+files = [
+    {file = "attrs-22.1.0-py2.py3-none-any.whl", hash = "sha256:86efa402f67bf2df34f51a335487cf46b1ec130d02b8d39fd248abfd30da551c"},
+    {file = "attrs-22.1.0.tar.gz", hash = "sha256:29adc2665447e5191d0e7c568fde78b21f9672d344281d0c6e1ab085429b22b6"},
+]
 
 [package.extras]
 dev = ["cloudpickle", "coverage[toml] (>=5.0.2)", "furo", "hypothesis", "mypy (>=0.900,!=0.940)", "pre-commit", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "sphinx", "sphinx-notfound-page", "zope.interface"]
@@ -49,14 +66,22 @@ description = "Specifications for callback functions passed in to an API"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "backcall-0.2.0-py2.py3-none-any.whl", hash = "sha256:fbbce6a29f263178a1f7915c1940bde0ec2b2a967566fe1c65c1dfb7422bd255"},
+    {file = "backcall-0.2.0.tar.gz", hash = "sha256:5cbdbf27be5e7cfadb448baf0aa95508f91f2bbc6c6437cd9cd06e2a4c215e1e"},
+]
 
 [[package]]
 name = "beautifulsoup4"
 version = "4.11.1"
 description = "Screen-scraping library"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.6.0"
+files = [
+    {file = "beautifulsoup4-4.11.1-py3-none-any.whl", hash = "sha256:58d5c3d29f5a36ffeb94f02f0d786cd53014cf9b3b3951d42e0080d8a9498d30"},
+    {file = "beautifulsoup4-4.11.1.tar.gz", hash = "sha256:ad9aa55b65ef2808eb405f46cf74df7fcb7044d5cbc26487f96eb2ef2e436693"},
+]
 
 [package.dependencies]
 soupsieve = ">1.2"
@@ -72,6 +97,20 @@ description = "The uncompromising code formatter."
 category = "dev"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "black-22.12.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:9eedd20838bd5d75b80c9f5487dbcb06836a43833a37846cf1d8c1cc01cef59d"},
+    {file = "black-22.12.0-cp310-cp310-win_amd64.whl", hash = "sha256:159a46a4947f73387b4d83e87ea006dbb2337eab6c879620a3ba52699b1f4351"},
+    {file = "black-22.12.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:d30b212bffeb1e252b31dd269dfae69dd17e06d92b87ad26e23890f3efea366f"},
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+    {file = "black-22.12.0-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:77d86c9f3db9b1bf6761244bc0b3572a546f5fe37917a044e02f3166d5aafa7d"},
+    {file = "black-22.12.0-cp38-cp38-win_amd64.whl", hash = "sha256:82d9fe8fee3401e02e79767016b4907820a7dc28d70d137eb397b92ef3cc5bfc"},
+    {file = "black-22.12.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:101c69b23df9b44247bd88e1d7e90154336ac4992502d4197bdac35dd7ee3320"},
+    {file = "black-22.12.0-cp39-cp39-win_amd64.whl", hash = "sha256:559c7a1ba9a006226f09e4916060982fd27334ae1998e7a38b3f33a37f7a2148"},
+    {file = "black-22.12.0-py3-none-any.whl", hash = "sha256:436cc9167dd28040ad90d3b404aec22cedf24a6e4d7de221bec2730ec0c97bcf"},
+    {file = "black-22.12.0.tar.gz", hash = "sha256:229351e5a18ca30f447bf724d007f890f97e13af070bb6ad4c0a441cd7596a2f"},
+]
 
 [package.dependencies]
 click = ">=8.0.0"
@@ -92,8 +131,12 @@ name = "bleach"
 version = "5.0.1"
 description = "An easy safelist-based HTML-sanitizing tool."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "bleach-5.0.1-py3-none-any.whl", hash = "sha256:085f7f33c15bd408dd9b17a4ad77c577db66d76203e5984b1bd59baeee948b2a"},
+    {file = "bleach-5.0.1.tar.gz", hash = "sha256:0d03255c47eb9bd2f26aa9bb7f2107732e7e8fe195ca2f64709fcf3b0a4a085c"},
+]
 
 [package.dependencies]
 six = ">=1.9.0"
@@ -110,6 +153,7 @@ description = "Canonicalize PSMILES strings."
 category = "main"
 optional = false
 python-versions = "^3.7"
+files = []
 develop = false
 
 [package.dependencies]
@@ -126,8 +170,12 @@ name = "certifi"
 version = "2022.12.7"
 description = "Python package for providing Mozilla's CA Bundle."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.6"
+files = [
+    {file = "certifi-2022.12.7-py3-none-any.whl", hash = "sha256:4ad3232f5e926d6718ec31cfc1fcadfde020920e278684144551c91769c7bc18"},
+    {file = "certifi-2022.12.7.tar.gz", hash = "sha256:35824b4c3a97115964b408844d64aa14db1cc518f6562e8d7261699d1350a9e3"},
+]
 
 [[package]]
 name = "cffi"
@@ -136,6 +184,72 @@ description = "Foreign Function Interface for Python calling C code."
 category = "main"
 optional = false
 python-versions = "*"
+files = [
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+    {file = "cffi-1.15.1-cp39-cp39-musllinux_1_1_x86_64.whl", hash = "sha256:98d85c6a2bef81588d9227dde12db8a7f47f639f4a17c9ae08e773aa9c697bf3"},
+    {file = "cffi-1.15.1-cp39-cp39-win32.whl", hash = "sha256:40f4774f5a9d4f5e344f31a32b5096977b5d48560c5592e2f3d2c4374bd543ee"},
+    {file = "cffi-1.15.1-cp39-cp39-win_amd64.whl", hash = "sha256:70df4e3b545a17496c9b3f41f5115e69a4f2e77e94e1d2a8e1070bc0c38c8a3c"},
+    {file = "cffi-1.15.1.tar.gz", hash = "sha256:d400bfb9a37b1351253cb402671cea7e89bdecc294e8016a707f6d1d8ac934f9"},
+]
 
 [package.dependencies]
 pycparser = "*"
@@ -147,14 +261,22 @@ description = "Validate configuration and produce human readable error messages.
 category = "dev"
 optional = false
 python-versions = ">=3.6.1"
+files = [
+    {file = "cfgv-3.3.1-py2.py3-none-any.whl", hash = "sha256:c6a0883f3917a037485059700b9e75da2464e6c27051014ad85ba6aaa5884426"},
+    {file = "cfgv-3.3.1.tar.gz", hash = "sha256:f5a830efb9ce7a445376bb66ec94c638a9787422f96264c98edc6bdeed8ab736"},
+]
 
 [[package]]
 name = "charset-normalizer"
 version = "2.1.1"
 description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.6.0"
+files = [
+    {file = "charset-normalizer-2.1.1.tar.gz", hash = "sha256:5a3d016c7c547f69d6f81fb0db9449ce888b418b5b9952cc5e6e66843e9dd845"},
+    {file = "charset_normalizer-2.1.1-py3-none-any.whl", hash = "sha256:83e9a75d1911279afd89352c68b45348559d1fc0506b054b346651b5e7fee29f"},
+]
 
 [package.extras]
 unicode-backport = ["unicodedata2"]
@@ -166,6 +288,10 @@ description = "Composable command line interface toolkit"
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "click-8.1.3-py3-none-any.whl", hash = "sha256:bb4d8133cb15a609f44e8213d9b391b0809795062913b383c62be0ee95b1db48"},
+    {file = "click-8.1.3.tar.gz", hash = "sha256:7682dc8afb30297001674575ea00d1814d808d6a36af415a82bd481d37ba7b8e"},
+]
 
 [package.dependencies]
 colorama = {version = "*", markers = "platform_system == \"Windows\""}
@@ -177,6 +303,10 @@ description = "Cross-platform colored terminal text."
 category = "main"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
+files = [
+    {file = "colorama-0.4.6-py2.py3-none-any.whl", hash = "sha256:4f1d9991f5acc0ca119f9d443620b77f9d6b33703e51011c16baf57afb285fc6"},
+    {file = "colorama-0.4.6.tar.gz", hash = "sha256:08695f5cb7ed6e0531a20572697297273c47b8cae5a63ffc6d6ed5c201be6e44"},
+]
 
 [[package]]
 name = "comm"
@@ -185,6 +315,10 @@ description = "Jupyter Python Comm implementation, for usage in ipykernel, xeus-
 category = "dev"
 optional = false
 python-versions = ">=3.6"
+files = [
+    {file = "comm-0.1.2-py3-none-any.whl", hash = "sha256:9f3abf3515112fa7c55a42a6a5ab358735c9dccc8b5910a9d8e3ef5998130666"},
+    {file = "comm-0.1.2.tar.gz", hash = "sha256:3e2f5826578e683999b93716285b3b1f344f157bf75fa9ce0a797564e742f062"},
+]
 
 [package.dependencies]
 traitlets = ">=5.3"
@@ -199,6 +333,26 @@ description = "An implementation of the Debug Adapter Protocol for Python"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "debugpy-1.6.4-cp310-cp310-macosx_10_15_x86_64.whl", hash = "sha256:6ae238943482c78867ac707c09122688efb700372b617ffd364261e5e41f7a2f"},
+    {file = "debugpy-1.6.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:2a39e7da178e1f22f4bc04b57f085e785ed1bcf424aaf318835a1a7129eefe35"},
+    {file = "debugpy-1.6.4-cp310-cp310-win32.whl", hash = "sha256:143f79d0798a9acea21cd1d111badb789f19d414aec95fa6389cfea9485ddfb1"},
+    {file = "debugpy-1.6.4-cp310-cp310-win_amd64.whl", hash = "sha256:563f148f94434365ec0ce94739c749aabf60bf67339e68a9446499f3582d62f3"},
+    {file = "debugpy-1.6.4-cp37-cp37m-macosx_10_15_x86_64.whl", hash = "sha256:1caee68f7e254267df908576c0d0938f8f88af16383f172cb9f0602e24c30c01"},
+    {file = "debugpy-1.6.4-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:40e2a83d31a16b83666f19fa06d97b2cc311af88e6266590579737949971a17e"},
+    {file = "debugpy-1.6.4-cp37-cp37m-win32.whl", hash = "sha256:82229790442856962aec4767b98ba2559fe0998f897e9f21fb10b4fd24b6c436"},
+    {file = "debugpy-1.6.4-cp37-cp37m-win_amd64.whl", hash = "sha256:67edf033f9e512958f7b472975ff9d9b7ff64bf4440f6f6ae44afdc66b89e6b6"},
+    {file = "debugpy-1.6.4-cp38-cp38-macosx_10_15_x86_64.whl", hash = "sha256:4ab5e938925e5d973f567d6ef32751b17d10f3be3a8c4d73c52f53e727f69bf1"},
+    {file = "debugpy-1.6.4-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:d8df268e9f72fc06efc2e75e8dc8e2b881d6a397356faec26efb2ee70b6863b7"},
+    {file = "debugpy-1.6.4-cp38-cp38-win32.whl", hash = "sha256:86bd25f38f8b6c5d430a5e2931eebbd5f580c640f4819fcd236d0498790c7204"},
+    {file = "debugpy-1.6.4-cp38-cp38-win_amd64.whl", hash = "sha256:62ba4179b372a62abf9c89b56997d70a4100c6dea6c2a4e0e4be5f45920b3253"},
+    {file = "debugpy-1.6.4-cp39-cp39-macosx_10_15_x86_64.whl", hash = "sha256:d2968e589bda4e485a9c61f113754a28e48d88c5152ed8e0b2564a1fadbe50a5"},
+    {file = "debugpy-1.6.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:e62b8034ede98932b92268669318848a0d42133d857087a3b9cec03bb844c615"},
+    {file = "debugpy-1.6.4-cp39-cp39-win32.whl", hash = "sha256:3d9c31baf64bf959a593996c108e911c5a9aa1693a296840e5469473f064bcec"},
+    {file = "debugpy-1.6.4-cp39-cp39-win_amd64.whl", hash = "sha256:ea4bf208054e6d41749f17612066da861dff10102729d32c85b47f155223cf2b"},
+    {file = "debugpy-1.6.4-py2.py3-none-any.whl", hash = "sha256:e886a1296cd20a10172e94788009ce74b759e54229ebd64a43fa5c2b4e62cd76"},
+    {file = "debugpy-1.6.4.zip", hash = "sha256:d5ab9bd3f4e7faf3765fd52c7c43c074104ab1e109621dc73219099ed1a5399d"},
+]
 
 [[package]]
 name = "decorator"
@@ -207,14 +361,22 @@ description = "Decorators for Humans"
 category = "dev"
 optional = false
 python-versions = ">=3.5"
+files = [
+    {file = "decorator-5.1.1-py3-none-any.whl", hash = "sha256:b8c3f85900b9dc423225913c5aace94729fe1fa9763b38939a95226f02d37186"},
+    {file = "decorator-5.1.1.tar.gz", hash = "sha256:637996211036b6385ef91435e4fae22989472f9d571faba8927ba8253acbc330"},
+]
 
 [[package]]
 name = "defusedxml"
 version = "0.7.1"
 description = "XML bomb protection for Python stdlib modules"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+files = [
+    {file = "defusedxml-0.7.1-py2.py3-none-any.whl", hash = "sha256:a352e7e428770286cc899e2542b6cdaedb2b4953ff269a210103ec58f6198a61"},
+    {file = "defusedxml-0.7.1.tar.gz", hash = "sha256:1bb3032db185915b62d7c6209c5a8792be6a32ab2fedacc84e01b52c51aa3e69"},
+]
 
 [[package]]
 name = "distlib"
@@ -223,6 +385,10 @@ description = "Distribution utilities"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "distlib-0.3.6-py2.py3-none-any.whl", hash = "sha256:f35c4b692542ca110de7ef0bea44d73981caeb34ca0b9b6b2e6d7790dda8f80e"},
+    {file = "distlib-0.3.6.tar.gz", hash = "sha256:14bad2d9b04d3a36127ac97f30b12a19268f211063d8f8ee4f47108896e11b46"},
+]
 
 [[package]]
 name = "entrypoints"
@@ -231,6 +397,10 @@ description = "Discover and load entry points from installed packages."
 category = "main"
 optional = false
 python-versions = ">=3.6"
+files = [
+    {file = "entrypoints-0.4-py3-none-any.whl", hash = "sha256:f174b5ff827504fd3cd97cc3f8649f3693f51538c7e4bdf3ef002c8429d42f9f"},
+    {file = "entrypoints-0.4.tar.gz", hash = "sha256:b706eddaa9218a19ebcd67b56818f05bb27589b1ca9e8d797b74affad4ccacd4"},
+]
 
 [[package]]
 name = "executing"
@@ -239,6 +409,10 @@ description = "Get the currently executing AST node of a frame, and other inform
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "executing-1.2.0-py2.py3-none-any.whl", hash = "sha256:0314a69e37426e3608aada02473b4161d4caf5a4b244d1d0c48072b8fee7bacc"},
+    {file = "executing-1.2.0.tar.gz", hash = "sha256:19da64c18d2d851112f09c287f8d3dbbdf725ab0e569077efb6cdcbd3497c107"},
+]
 
 [package.extras]
 tests = ["asttokens", "littleutils", "pytest", "rich"]
@@ -248,8 +422,12 @@ name = "fastjsonschema"
 version = "2.16.2"
 description = "Fastest Python implementation of JSON schema"
 category = "main"
-optional = false
+optional = true
 python-versions = "*"
+files = [
+    {file = "fastjsonschema-2.16.2-py3-none-any.whl", hash = "sha256:21f918e8d9a1a4ba9c22e09574ba72267a6762d47822db9add95f6454e51cc1c"},
+    {file = "fastjsonschema-2.16.2.tar.gz", hash = "sha256:01e366f25d9047816fe3d288cbfc3e10541daf0af2044763f3d0ade42476da18"},
+]
 
 [package.extras]
 devel = ["colorama", "json-spec", "jsonschema", "pylint", "pytest", "pytest-benchmark", "pytest-cache", "validictory"]
@@ -261,6 +439,10 @@ description = "A platform independent file lock."
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "filelock-3.8.2-py3-none-any.whl", hash = "sha256:8df285554452285f79c035efb0c861eb33a4bcfa5b7a137016e32e6a90f9792c"},
+    {file = "filelock-3.8.2.tar.gz", hash = "sha256:7565f628ea56bfcd8e54e42bdc55da899c85c1abfe1b5bcfd147e9188cebb3b2"},
+]
 
 [package.extras]
 docs = ["furo (>=2022.9.29)", "sphinx (>=5.3)", "sphinx-autodoc-typehints (>=1.19.5)"]
@@ -273,6 +455,10 @@ description = "Copy your docs directly to the gh-pages branch."
 category = "main"
 optional = false
 python-versions = "*"
+files = [
+    {file = "ghp-import-2.1.0.tar.gz", hash = "sha256:9c535c4c61193c2df8871222567d7fd7e5014d835f97dc7b7439069e2413d343"},
+    {file = "ghp_import-2.1.0-py3-none-any.whl", hash = "sha256:8337dd7b50877f163d4c0289bc1f1c7f127550241988d568c1db512c4324a619"},
+]
 
 [package.dependencies]
 python-dateutil = ">=2.8.1"
@@ -287,6 +473,10 @@ description = "Signatures for entire Python programs. Extract the structure, the
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "griffe-0.25.0-py3-none-any.whl", hash = "sha256:57527250e06c0fac5381c5ccc9695b6c46a3af51928d99364bf2e5fd9aabf37d"},
+    {file = "griffe-0.25.0.tar.gz", hash = "sha256:35d412d2235330a05c755f906458c70ee8a4eec85bc3de20f1fd79d0a501dc38"},
+]
 
 [package.dependencies]
 colorama = ">=0.4"
@@ -301,6 +491,10 @@ description = "Client library to download and publish models, datasets and other
 category = "main"
 optional = true
 python-versions = ">=3.7.0"
+files = [
+    {file = "huggingface_hub-0.11.1-py3-none-any.whl", hash = "sha256:11eed7aab4fa4d1fb532f2aea3379ef4998d9f6bc24a330834dfedd3dac7f441"},
+    {file = "huggingface_hub-0.11.1.tar.gz", hash = "sha256:8b9ebf9bbb1782f6f0419ec490973a6487c6c4ed84293a8a325d34c4f898f53f"},
+]
 
 [package.dependencies]
 filelock = "*"
@@ -328,6 +522,10 @@ description = "File identification library for Python"
 category = "dev"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "identify-2.5.9-py2.py3-none-any.whl", hash = "sha256:a390fb696e164dbddb047a0db26e57972ae52fbd037ae68797e5ae2f4492485d"},
+    {file = "identify-2.5.9.tar.gz", hash = "sha256:906036344ca769539610436e40a684e170c3648b552194980bb7b617a8daeb9f"},
+]
 
 [package.extras]
 license = ["ukkonen"]
@@ -337,8 +535,12 @@ name = "idna"
 version = "3.4"
 description = "Internationalized Domain Names in Applications (IDNA)"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.5"
+files = [
+    {file = "idna-3.4-py3-none-any.whl", hash = "sha256:90b77e79eaa3eba6de819a0c442c0b4ceefc341a7a2ab77d7562bf49f425c5c2"},
+    {file = "idna-3.4.tar.gz", hash = "sha256:814f528e8dead7d329833b91c5faa87d60bf71824cd12a7530b5526063d02cb4"},
+]
 
 [[package]]
 name = "importlib-metadata"
@@ -347,6 +549,10 @@ description = "Read metadata from Python packages"
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "importlib_metadata-5.1.0-py3-none-any.whl", hash = "sha256:d84d17e21670ec07990e1044a99efe8d615d860fd176fc29ef5c306068fda313"},
+    {file = "importlib_metadata-5.1.0.tar.gz", hash = "sha256:d5059f9f1e8e41f80e9c56c2ee58811450c31984dfa625329ffd7c0dad88a73b"},
+]
 
 [package.dependencies]
 zipp = ">=0.5"
@@ -361,8 +567,12 @@ name = "importlib-resources"
 version = "5.10.1"
 description = "Read resources from Python packages"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "importlib_resources-5.10.1-py3-none-any.whl", hash = "sha256:c09b067d82e72c66f4f8eb12332f5efbebc9b007c0b6c40818108c9870adc363"},
+    {file = "importlib_resources-5.10.1.tar.gz", hash = "sha256:32bb095bda29741f6ef0e5278c42df98d135391bee5f932841efc0041f748dc3"},
+]
 
 [package.dependencies]
 zipp = {version = ">=3.1.0", markers = "python_version < \"3.10\""}
@@ -378,6 +588,10 @@ description = "iniconfig: brain-dead simple config-ini parsing"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "iniconfig-1.1.1-py2.py3-none-any.whl", hash = "sha256:011e24c64b7f47f6ebd835bb12a743f2fbe9a26d4cecaa7f53bc4f35ee9da8b3"},
+    {file = "iniconfig-1.1.1.tar.gz", hash = "sha256:bc3af051d7d14b2ee5ef9969666def0cd1a000e121eaea580d4a313df4b37f32"},
+]
 
 [[package]]
 name = "ipykernel"
@@ -386,6 +600,10 @@ description = "IPython Kernel for Jupyter"
 category = "dev"
 optional = false
 python-versions = ">=3.8"
+files = [
+    {file = "ipykernel-6.19.2-py3-none-any.whl", hash = "sha256:1374a55c57ca7a7286c3d8b15799cd76e1a2381b6b1fea99c494b955988926b6"},
+    {file = "ipykernel-6.19.2.tar.gz", hash = "sha256:1ab68d3d3654196266baa93990055413e167263ffbe4cfe834f871bcd3d3506d"},
+]
 
 [package.dependencies]
 appnope = {version = "*", markers = "platform_system == \"Darwin\""}
@@ -410,11 +628,15 @@ typing = ["mypy (>=0.990)"]
 
 [[package]]
 name = "ipython"
-version = "8.7.0"
+version = "8.10.0"
 description = "IPython: Productive Interactive Computing"
 category = "dev"
 optional = false
 python-versions = ">=3.8"
+files = [
+    {file = "ipython-8.10.0-py3-none-any.whl", hash = "sha256:b38c31e8fc7eff642fc7c597061fff462537cf2314e3225a19c906b7b0d8a345"},
+    {file = "ipython-8.10.0.tar.gz", hash = "sha256:b13a1d6c1f5818bd388db53b7107d17454129a70de2b87481d555daede5eb49e"},
+]
 
 [package.dependencies]
 appnope = {version = "*", markers = "sys_platform == \"darwin\""}
@@ -425,13 +647,13 @@ jedi = ">=0.16"
 matplotlib-inline = "*"
 pexpect = {version = ">4.3", markers = "sys_platform != \"win32\""}
 pickleshare = "*"
-prompt-toolkit = ">=3.0.11,<3.1.0"
+prompt-toolkit = ">=3.0.30,<3.1.0"
 pygments = ">=2.4.0"
 stack-data = "*"
 traitlets = ">=5"
 
 [package.extras]
-all = ["black", "curio", "docrepr", "ipykernel", "ipyparallel", "ipywidgets", "matplotlib", "matplotlib (!=3.2.0)", "nbconvert", "nbformat", "notebook", "numpy (>=1.20)", "pandas", "pytest (<7)", "pytest (<7.1)", "pytest-asyncio", "qtconsole", "setuptools (>=18.5)", "sphinx (>=1.3)", "sphinx-rtd-theme", "stack-data", "testpath", "trio", "typing-extensions"]
+all = ["black", "curio", "docrepr", "ipykernel", "ipyparallel", "ipywidgets", "matplotlib", "matplotlib (!=3.2.0)", "nbconvert", "nbformat", "notebook", "numpy (>=1.21)", "pandas", "pytest (<7)", "pytest (<7.1)", "pytest-asyncio", "qtconsole", "setuptools (>=18.5)", "sphinx (>=1.3)", "sphinx-rtd-theme", "stack-data", "testpath", "trio", "typing-extensions"]
 black = ["black"]
 doc = ["docrepr", "ipykernel", "matplotlib", "pytest (<7)", "pytest (<7.1)", "pytest-asyncio", "setuptools (>=18.5)", "sphinx (>=1.3)", "sphinx-rtd-theme", "stack-data", "testpath", "typing-extensions"]
 kernel = ["ipykernel"]
@@ -441,7 +663,7 @@ notebook = ["ipywidgets", "notebook"]
 parallel = ["ipyparallel"]
 qtconsole = ["qtconsole"]
 test = ["pytest (<7.1)", "pytest-asyncio", "testpath"]
-test-extra = ["curio", "matplotlib (!=3.2.0)", "nbformat", "numpy (>=1.20)", "pandas", "pytest (<7.1)", "pytest-asyncio", "testpath", "trio"]
+test-extra = ["curio", "matplotlib (!=3.2.0)", "nbformat", "numpy (>=1.21)", "pandas", "pytest (<7.1)", "pytest-asyncio", "testpath", "trio"]
 
 [[package]]
 name = "jedi"
@@ -450,6 +672,10 @@ description = "An autocompletion tool for Python that can be used for text edito
 category = "dev"
 optional = false
 python-versions = ">=3.6"
+files = [
+    {file = "jedi-0.18.2-py2.py3-none-any.whl", hash = "sha256:203c1fd9d969ab8f2119ec0a3342e0b49910045abe6af0a3ae83a5764d54639e"},
+    {file = "jedi-0.18.2.tar.gz", hash = "sha256:bae794c30d07f6d910d32a7048af09b5a39ed740918da923c6b780790ebac612"},
+]
 
 [package.dependencies]
 parso = ">=0.8.0,<0.9.0"
@@ -466,6 +692,10 @@ description = "A very fast and expressive template engine."
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "Jinja2-3.1.2-py3-none-any.whl", hash = "sha256:6088930bfe239f0e6710546ab9c19c9ef35e29792895fed6e6e31a023a182a61"},
+    {file = "Jinja2-3.1.2.tar.gz", hash = "sha256:31351a702a408a9e7595a8fc6150fc3f43bb6bf7e319770cbc0db9df9437e852"},
+]
 
 [package.dependencies]
 MarkupSafe = ">=2.0"
@@ -480,14 +710,22 @@ description = "Lightweight pipelining with Python functions"
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "joblib-1.2.0-py3-none-any.whl", hash = "sha256:091138ed78f800342968c523bdde947e7a305b8594b910a0fea2ab83c3c6d385"},
+    {file = "joblib-1.2.0.tar.gz", hash = "sha256:e1cee4a79e4af22881164f218d4311f60074197fb707e082e803b61f6d137018"},
+]
 
 [[package]]
 name = "jsonschema"
 version = "4.17.3"
 description = "An implementation of JSON Schema validation for Python"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "jsonschema-4.17.3-py3-none-any.whl", hash = "sha256:a870ad254da1a8ca84b6a2905cac29d265f805acc57af304784962a2aa6508f6"},
+    {file = "jsonschema-4.17.3.tar.gz", hash = "sha256:0f864437ab8b6076ba6707453ef8f98a6a0d512a80e93f8abdb676f737ecb60d"},
+]
 
 [package.dependencies]
 attrs = ">=17.4.0"
@@ -506,6 +744,10 @@ description = "Jupyter protocol implementation and client libraries"
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "jupyter_client-7.4.8-py3-none-any.whl", hash = "sha256:d4a67ae86ee014bcb96bd8190714f6af921f2b0f52f4208b086aa5acfd9f8d65"},
+    {file = "jupyter_client-7.4.8.tar.gz", hash = "sha256:109a3c33b62a9cf65aa8325850a0999a795fac155d9de4f7555aef5f310ee35a"},
+]
 
 [package.dependencies]
 entrypoints = "*"
@@ -527,6 +769,10 @@ description = "Jupyter core package. A base package on which Jupyter projects re
 category = "main"
 optional = false
 python-versions = ">=3.8"
+files = [
+    {file = "jupyter_core-5.1.0-py3-none-any.whl", hash = "sha256:f5740d99606958544396914b08e67b668f45e7eff99ab47a7f4bcead419c02f4"},
+    {file = "jupyter_core-5.1.0.tar.gz", hash = "sha256:a5ae7c09c55c0b26f692ec69323ba2b62e8d7295354d20f6cd57b749de4a05bf"},
+]
 
 [package.dependencies]
 platformdirs = ">=2.5"
@@ -542,16 +788,24 @@ name = "jupyterlab-pygments"
 version = "0.2.2"
 description = "Pygments theme using JupyterLab CSS variables"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
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+    {file = "jupyterlab_pygments-0.2.2.tar.gz", hash = "sha256:7405d7fde60819d905a9fa8ce89e4cd830e318cdad22a0030f7a901da705585d"},
+]
 
 [[package]]
 name = "jupytext"
 version = "1.14.4"
 description = "Jupyter notebooks as Markdown documents, Julia, Python or R scripts"
 category = "main"
-optional = false
+optional = true
 python-versions = "~=3.6"
+files = [
+    {file = "jupytext-1.14.4-py3-none-any.whl", hash = "sha256:c5f5647112aa4ea4c61c31e48a216a4c49d315a0fc43d4f483529ed3b0b1a0d9"},
+    {file = "jupytext-1.14.4.tar.gz", hash = "sha256:4c09f1b8f837888dec11c1253e813b5cacdc20eecefcf2f9a0b870ae6bd44a65"},
+]
 
 [package.dependencies]
 markdown-it-py = ">=1.0.0,<3.0.0"
@@ -569,36 +823,123 @@ name = "lxml"
 version = "4.9.2"
 description = "Powerful and Pythonic XML processing library combining libxml2/libxslt with the ElementTree API."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, != 3.4.*"
-
-[package.extras]
-cssselect = ["cssselect (>=0.7)"]
-html5 = ["html5lib"]
-htmlsoup = ["BeautifulSoup4"]
-source = ["Cython (>=0.29.7)"]
-
-[[package]]
-name = "markdown"
-version = "3.3.7"
-description = "Python implementation of Markdown."
-category = "main"
-optional = false
-python-versions = ">=3.6"
-
-[package.dependencies]
-importlib-metadata = {version = ">=4.4", markers = "python_version < \"3.10\""}
-
-[package.extras]
-testing = ["coverage", "pyyaml"]
-
-[[package]]
-name = "markdown-it-py"
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+html5 = ["html5lib"]
+htmlsoup = ["BeautifulSoup4"]
+source = ["Cython (>=0.29.7)"]
+
+[[package]]
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+category = "main"
+optional = false
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+
+[package.extras]
+testing = ["coverage", "pyyaml"]
+
+[[package]]
+name = "markdown-it-py"
 version = "2.1.0"
 description = "Python port of markdown-it. Markdown parsing, done right!"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
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 [package.dependencies]
 mdurl = ">=0.1,<1.0"
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 optional = false
 python-versions = ">=3.7"
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+    {file = "MarkupSafe-2.1.1.tar.gz", hash = "sha256:7f91197cc9e48f989d12e4e6fbc46495c446636dfc81b9ccf50bb0ec74b91d4b"},
+]
 
 [[package]]
 name = "matplotlib-inline"
@@ -628,6 +1011,10 @@ description = "Inline Matplotlib backend for Jupyter"
 category = "dev"
 optional = false
 python-versions = ">=3.5"
+files = [
+    {file = "matplotlib-inline-0.1.6.tar.gz", hash = "sha256:f887e5f10ba98e8d2b150ddcf4702c1e5f8b3a20005eb0f74bfdbd360ee6f304"},
+    {file = "matplotlib_inline-0.1.6-py3-none-any.whl", hash = "sha256:f1f41aab5328aa5aaea9b16d083b128102f8712542f819fe7e6a420ff581b311"},
+]
 
 [package.dependencies]
 traitlets = "*"
@@ -637,8 +1024,12 @@ name = "mdit-py-plugins"
 version = "0.3.3"
 description = "Collection of plugins for markdown-it-py"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "mdit-py-plugins-0.3.3.tar.gz", hash = "sha256:5cfd7e7ac582a594e23ba6546a2f406e94e42eb33ae596d0734781261c251260"},
+    {file = "mdit_py_plugins-0.3.3-py3-none-any.whl", hash = "sha256:36d08a29def19ec43acdcd8ba471d3ebab132e7879d442760d963f19913e04b9"},
+]
 
 [package.dependencies]
 markdown-it-py = ">=1.0.0,<3.0.0"
@@ -653,8 +1044,12 @@ name = "mdurl"
 version = "0.1.2"
 description = "Markdown URL utilities"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "mdurl-0.1.2-py3-none-any.whl", hash = "sha256:84008a41e51615a49fc9966191ff91509e3c40b939176e643fd50a5c2196b8f8"},
+    {file = "mdurl-0.1.2.tar.gz", hash = "sha256:bb413d29f5eea38f31dd4754dd7377d4465116fb207585f97bf925588687c1ba"},
+]
 
 [[package]]
 name = "mergedeep"
@@ -663,14 +1058,22 @@ description = "A deep merge function for 🐍."
 category = "main"
 optional = false
 python-versions = ">=3.6"
+files = [
+    {file = "mergedeep-1.3.4-py3-none-any.whl", hash = "sha256:70775750742b25c0d8f36c55aed03d24c3384d17c951b3175d898bd778ef0307"},
+    {file = "mergedeep-1.3.4.tar.gz", hash = "sha256:0096d52e9dad9939c3d975a774666af186eda617e6ca84df4c94dec30004f2a8"},
+]
 
 [[package]]
 name = "mistune"
 version = "0.8.4"
 description = "The fastest markdown parser in pure Python"
 category = "main"
-optional = false
+optional = true
 python-versions = "*"
+files = [
+    {file = "mistune-0.8.4-py2.py3-none-any.whl", hash = "sha256:88a1051873018da288eee8538d476dffe1262495144b33ecb586c4ab266bb8d4"},
+    {file = "mistune-0.8.4.tar.gz", hash = "sha256:59a3429db53c50b5c6bcc8a07f8848cb00d7dc8bdb431a4ab41920d201d4756e"},
+]
 
 [[package]]
 name = "mkdocs"
@@ -679,6 +1082,10 @@ description = "Project documentation with Markdown."
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "mkdocs-1.4.2-py3-none-any.whl", hash = "sha256:c8856a832c1e56702577023cd64cc5f84948280c1c0fcc6af4cd39006ea6aa8c"},
+    {file = "mkdocs-1.4.2.tar.gz", hash = "sha256:8947af423a6d0facf41ea1195b8e1e8c85ad94ac95ae307fe11232e0424b11c5"},
+]
 
 [package.dependencies]
 click = ">=7.0"
@@ -704,6 +1111,10 @@ description = "Automatically link across pages in MkDocs."
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "mkdocs-autorefs-0.4.1.tar.gz", hash = "sha256:70748a7bd025f9ecd6d6feeba8ba63f8e891a1af55f48e366d6d6e78493aba84"},
+    {file = "mkdocs_autorefs-0.4.1-py3-none-any.whl", hash = "sha256:a2248a9501b29dc0cc8ba4c09f4f47ff121945f6ce33d760f145d6f89d313f5b"},
+]
 
 [package.dependencies]
 Markdown = ">=3.3"
@@ -714,8 +1125,11 @@ name = "mkdocs-jupyter"
 version = "0.22.0"
 description = "Use Jupyter in mkdocs websites"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7.1,<4"
+files = [
+    {file = "mkdocs-jupyter-0.22.0.tar.gz", hash = "sha256:585cc69bea4cb9faf6898131978dc9a9b225091ed4b6084f5ab65652a5e12185"},
+]
 
 [package.dependencies]
 jupytext = ">=1.13.8,<2.0.0"
@@ -729,8 +1143,12 @@ name = "mkdocs-material"
 version = "8.5.11"
 description = "Documentation that simply works"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "mkdocs_material-8.5.11-py3-none-any.whl", hash = "sha256:c907b4b052240a5778074a30a78f31a1f8ff82d7012356dc26898b97559f082e"},
+    {file = "mkdocs_material-8.5.11.tar.gz", hash = "sha256:b0ea0513fd8cab323e8a825d6692ea07fa83e917bb5db042e523afecc7064ab7"},
+]
 
 [package.dependencies]
 jinja2 = ">=3.0.2"
@@ -746,8 +1164,12 @@ name = "mkdocs-material-extensions"
 version = "1.1.1"
 description = "Extension pack for Python Markdown and MkDocs Material."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
+    {file = "mkdocs_material_extensions-1.1.1-py3-none-any.whl", hash = "sha256:e41d9f38e4798b6617ad98ca8f7f1157b1e4385ac1459ca1e4ea219b556df945"},
+    {file = "mkdocs_material_extensions-1.1.1.tar.gz", hash = "sha256:9c003da71e2cc2493d910237448c672e00cefc800d3d6ae93d2fc69979e3bd93"},
+]
 
 [[package]]
 name = "mkdocstrings"
@@ -756,6 +1178,10 @@ description = "Automatic documentation from sources, for MkDocs."
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "mkdocstrings-0.19.0-py3-none-any.whl", hash = "sha256:3217d510d385c961f69385a670b2677e68e07b5fea4a504d86bf54c006c87c7d"},
+    {file = "mkdocstrings-0.19.0.tar.gz", hash = "sha256:efa34a67bad11229d532d89f6836a8a215937548623b64f3698a1df62e01cc3e"},
+]
 
 [package.dependencies]
 Jinja2 = ">=2.11.1"
@@ -778,6 +1204,10 @@ description = "A Python handler for mkdocstrings."
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "mkdocstrings-python-0.8.2.tar.gz", hash = "sha256:b22528b7a7a0589d007eced019d97ad14de4eba4b2b9ba6a013bb66edc74ab43"},
+    {file = "mkdocstrings_python-0.8.2-py3-none-any.whl", hash = "sha256:213d9592e66e084a9bd2fa4956d6294a3487c6dc9cc45164058d6317249b7b6e"},
+]
 
 [package.dependencies]
 griffe = ">=0.24"
@@ -790,6 +1220,9 @@ description = "molecular descriptor calculator"
 category = "main"
 optional = true
 python-versions = "*"
+files = [
+    {file = "mordred-1.2.0.tar.gz", hash = "sha256:1115f9f3a3dde290dd68d51a5070fce43a62aab96b980cffc9d72b74a59e1c5a"},
+]
 
 [package.dependencies]
 networkx = ">=2.0.0,<3.0.0"
@@ -806,14 +1239,22 @@ description = "Experimental type system extensions for programs checked with the
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
+    {file = "mypy_extensions-0.4.3-py2.py3-none-any.whl", hash = "sha256:090fedd75945a69ae91ce1303b5824f428daf5a028d2f6ab8a299250a846f15d"},
+    {file = "mypy_extensions-0.4.3.tar.gz", hash = "sha256:2d82818f5bb3e369420cb3c4060a7970edba416647068eb4c5343488a6c604a8"},
+]
 
 [[package]]
 name = "nbclient"
 version = "0.7.2"
 description = "A client library for executing notebooks. Formerly nbconvert's ExecutePreprocessor."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7.0"
+files = [
+    {file = "nbclient-0.7.2-py3-none-any.whl", hash = "sha256:d97ac6257de2794f5397609df754fcbca1a603e94e924eb9b99787c031ae2e7c"},
+    {file = "nbclient-0.7.2.tar.gz", hash = "sha256:884a3f4a8c4fc24bb9302f263e0af47d97f0d01fe11ba714171b320c8ac09547"},
+]
 
 [package.dependencies]
 jupyter-client = ">=6.1.12"
@@ -831,8 +1272,12 @@ name = "nbconvert"
 version = "6.5.4"
 description = "Converting Jupyter Notebooks"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
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+    {file = "nbconvert-6.5.4.tar.gz", hash = "sha256:9e3c7c6d491374cbdd5f35d268c05809357716d346f4573186bbeab32ee50bc1"},
+]
 
 [package.dependencies]
 beautifulsoup4 = "*"
@@ -865,8 +1310,12 @@ name = "nbformat"
 version = "5.7.0"
 description = "The Jupyter Notebook format"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
+files = [
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+    {file = "nbformat-5.7.0.tar.gz", hash = "sha256:1d4760c15c1a04269ef5caf375be8b98dd2f696e5eb9e603ec2bf091f9b0d3f3"},
+]
 
 [package.dependencies]
 fastjsonschema = "*"
@@ -884,6 +1333,10 @@ description = "Patch asyncio to allow nested event loops"
 category = "main"
 optional = false
 python-versions = ">=3.5"
+files = [
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+    {file = "nest_asyncio-1.5.6.tar.gz", hash = "sha256:d267cc1ff794403f7df692964d1d2a3fa9418ffea2a3f6859a439ff482fef290"},
+]
 
 [[package]]
 name = "networkx"
@@ -892,6 +1345,10 @@ description = "Python package for creating and manipulating graphs and networks"
 category = "main"
 optional = true
 python-versions = ">=3.8"
+files = [
+    {file = "networkx-2.8.8-py3-none-any.whl", hash = "sha256:e435dfa75b1d7195c7b8378c3859f0445cd88c6b0375c181ed66823a9ceb7524"},
+    {file = "networkx-2.8.8.tar.gz", hash = "sha256:230d388117af870fce5647a3c52401fcf753e94720e6ea6b4197a5355648885e"},
+]
 
 [package.extras]
 default = ["matplotlib (>=3.4)", "numpy (>=1.19)", "pandas (>=1.3)", "scipy (>=1.8)"]
@@ -907,6 +1364,10 @@ description = "Natural Language Toolkit"
 category = "main"
 optional = true
 python-versions = ">=3.7"
+files = [
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+    {file = "nltk-3.8.zip", hash = "sha256:74b30826a37d78d53427105bbd037dd880251be269fca64ee530838a46ed55fc"},
+]
 
 [package.dependencies]
 click = "*"
@@ -929,6 +1390,10 @@ description = "Node.js virtual environment builder"
 category = "dev"
 optional = false
 python-versions = ">=2.7,!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*"
+files = [
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+]
 
 [package.dependencies]
 setuptools = "*"
@@ -940,6 +1405,36 @@ description = "NumPy is the fundamental package for array computing with Python.
 category = "main"
 optional = false
 python-versions = ">=3.8"
+files = [
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+]
 
 [[package]]
 name = "nvidia-cublas-cu11"
@@ -948,6 +1443,10 @@ description = "CUBLAS native runtime libraries"
 category = "main"
 optional = true
 python-versions = ">=3"
+files = [
+    {file = "nvidia_cublas_cu11-11.10.3.66-py3-none-manylinux1_x86_64.whl", hash = "sha256:d32e4d75f94ddfb93ea0a5dda08389bcc65d8916a25cb9f37ac89edaeed3bded"},
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+]
 
 [package.dependencies]
 setuptools = "*"
@@ -960,6 +1459,11 @@ description = "NVRTC native runtime libraries"
 category = "main"
 optional = true
 python-versions = ">=3"
+files = [
+    {file = "nvidia_cuda_nvrtc_cu11-11.7.99-2-py3-none-manylinux1_x86_64.whl", hash = "sha256:9f1562822ea264b7e34ed5930567e89242d266448e936b85bc97a3370feabb03"},
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+]
 
 [package.dependencies]
 setuptools = "*"
@@ -972,6 +1476,10 @@ description = "CUDA Runtime native Libraries"
 category = "main"
 optional = true
 python-versions = ">=3"
+files = [
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+]
 
 [package.dependencies]
 setuptools = "*"
@@ -984,6 +1492,10 @@ description = "cuDNN runtime libraries"
 category = "main"
 optional = true
 python-versions = ">=3"
+files = [
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+]
 
 [package.dependencies]
 setuptools = "*"
@@ -996,6 +1508,10 @@ description = "Core utilities for Python packages"
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
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+]
 
 [[package]]
 name = "pandas"
@@ -1004,6 +1520,35 @@ description = "Powerful data structures for data analysis, time series, and stat
 category = "main"
 optional = false
 python-versions = ">=3.8"
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 [package.dependencies]
 numpy = [
@@ -1022,8 +1567,12 @@ name = "pandocfilters"
 version = "1.5.0"
 description = "Utilities for writing pandoc filters in python"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
+files = [
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+]
 
 [[package]]
 name = "parso"
@@ -1032,6 +1581,10 @@ description = "A Python Parser"
 category = "dev"
 optional = false
 python-versions = ">=3.6"
+files = [
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+]
 
 [package.extras]
 qa = ["flake8 (==3.8.3)", "mypy (==0.782)"]
@@ -1044,6 +1597,10 @@ description = "Utility library for gitignore style pattern matching of file path
 category = "dev"
 optional = false
 python-versions = ">=3.7"
+files = [
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+]
 
 [[package]]
 name = "pexpect"
@@ -1052,6 +1609,10 @@ description = "Pexpect allows easy control of interactive console applications."
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
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+]
 
 [package.dependencies]
 ptyprocess = ">=0.5"
@@ -1063,6 +1624,10 @@ description = "Tiny 'shelve'-like database with concurrency support"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
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+]
 
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 name = "pillow"
@@ -1071,6 +1636,69 @@ description = "Python Imaging Library (Fork)"
 category = "main"
 optional = false
 python-versions = ">=3.7"
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 [package.extras]
 docs = ["furo", "olefile", "sphinx (>=2.4)", "sphinx-copybutton", "sphinx-issues (>=3.0.1)", "sphinx-removed-in", "sphinxext-opengraph"]
@@ -1081,8 +1709,12 @@ name = "pkgutil-resolve-name"
 version = "1.3.10"
 description = "Resolve a name to an object."
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.6"
+files = [
+    {file = "pkgutil_resolve_name-1.3.10-py3-none-any.whl", hash = "sha256:ca27cc078d25c5ad71a9de0a7a330146c4e014c2462d9af19c6b828280649c5e"},
+    {file = "pkgutil_resolve_name-1.3.10.tar.gz", hash = "sha256:357d6c9e6a755653cfd78893817c0853af365dd51ec97f3d358a819373bbd174"},
+]
 
 [[package]]
 name = "platformdirs"
@@ -1091,6 +1723,10 @@ description = "A small Python package for determining appropriate platform-speci
 category = "main"
 optional = false
 python-versions = ">=3.7"
+files = [
+    {file = "platformdirs-2.6.0-py3-none-any.whl", hash = "sha256:1a89a12377800c81983db6be069ec068eee989748799b946cce2a6e80dcc54ca"},
+    {file = "platformdirs-2.6.0.tar.gz", hash = "sha256:b46ffafa316e6b83b47489d240ce17173f123a9b9c83282141c3daf26ad9ac2e"},
+]
 
 [package.extras]
 docs = ["furo (>=2022.9.29)", "proselint (>=0.13)", "sphinx (>=5.3)", "sphinx-autodoc-typehints (>=1.19.4)"]
@@ -1103,6 +1739,10 @@ description = "plugin and hook calling mechanisms for python"
 category = "dev"
 optional = false
 python-versions = ">=3.6"
+files = [
+    {file = "pluggy-1.0.0-py2.py3-none-any.whl", hash = "sha256:74134bbf457f031a36d68416e1509f34bd5ccc019f0bcc952c7b909d06b37bd3"},
+    {file = "pluggy-1.0.0.tar.gz", hash = "sha256:4224373bacce55f955a878bf9cfa763c1e360858e330072059e10bad68531159"},
+]
 
 [package.extras]
 dev = ["pre-commit", "tox"]
@@ -1115,6 +1755,10 @@ description = "A framework for managing and maintaining multi-language pre-commi
 category = "dev"
 optional = false
 python-versions = ">=3.7"
+files = [
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+]
 
 [package.dependencies]
 cfgv = ">=2.0.0"
@@ -1131,6 +1775,10 @@ description = "Library for building powerful interactive command lines in Python
 category = "dev"
 optional = false
 python-versions = ">=3.6.2"
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 wcwidth = "*"
@@ -1142,6 +1790,22 @@ description = "Cross-platform lib for process and system monitoring in Python."
 category = "dev"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
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 test = ["enum34", "ipaddress", "mock", "pywin32", "wmi"]
@@ -1153,6 +1817,10 @@ description = "Run a subprocess in a pseudo terminal"
 category = "dev"
 optional = false
 python-versions = "*"
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 name = "pure-eval"
@@ -1161,6 +1829,10 @@ description = "Safely evaluate AST nodes without side effects"
 category = "dev"
 optional = false
 python-versions = "*"
+files = [
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@@ -1172,6 +1844,10 @@ description = "library with cross-python path, ini-parsing, io, code, log facili
 category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
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 name = "pycparser"
@@ -1180,6 +1856,10 @@ description = "C parser in Python"
 category = "main"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
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+]
 
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 name = "pygments"
@@ -1188,6 +1868,10 @@ description = "Pygments is a syntax highlighting package written in Python."
 category = "main"
 optional = false
 python-versions = ">=3.6"
+files = [
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 plugins = ["importlib-metadata"]
@@ -1199,6 +1883,10 @@ description = "Extension pack for Python Markdown."
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 optional = false
 python-versions = ">=3.7"
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 markdown = ">=3.2"
@@ -1208,8 +1896,32 @@ name = "pyrsistent"
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 description = "Persistent/Functional/Immutable data structures"
 category = "main"
-optional = false
+optional = true
 python-versions = ">=3.7"
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 [[package]]
 name = "pytest"
@@ -1218,6 +1930,10 @@ description = "pytest: simple powerful testing with Python"
 category = "dev"
 optional = false
 python-versions = ">=3.6"
+files = [
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+]
 
 [package.dependencies]
 atomicwrites = {version = ">=1.0", markers = "sys_platform == \"win32\""}
@@ -1239,6 +1955,10 @@ description = "Extensions to the standard Python datetime module"
 category = "main"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,>=2.7"
+files = [
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+]
 
 [package.dependencies]
 six = ">=1.5"
@@ -1250,6 +1970,10 @@ description = "World timezone definitions, modern and historical"
 category = "main"
 optional = false
 python-versions = "*"
+files = [
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+]
 
 [[package]]
 name = "pywin32"
@@ -1258,6 +1982,22 @@ description = "Python for Window Extensions"
 category = "main"
 optional = false
 python-versions = "*"
+files = [
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 [[package]]
 name = "pyyaml"
@@ -1266,1202 +2006,7 @@ description = "YAML parser and emitter for Python"
 category = "main"
 optional = false
 python-versions = ">=3.6"
-
-[[package]]
-name = "pyyaml-env-tag"
-version = "0.1"
-description = "A custom YAML tag for referencing environment variables in YAML files. "
-category = "main"
-optional = false
-python-versions = ">=3.6"
-
-[package.dependencies]
-pyyaml = "*"
-
-[[package]]
-name = "pyzmq"
-version = "24.0.1"
-description = "Python bindings for 0MQ"
-category = "main"
-optional = false
-python-versions = ">=3.6"
-
-[package.dependencies]
-cffi = {version = "*", markers = "implementation_name == \"pypy\""}
-py = {version = "*", markers = "implementation_name == \"pypy\""}
-
-[[package]]
-name = "rdkit"
-version = "2022.9.3"
-description = "A collection of chemoinformatics and machine-learning software written in C++ and Python"
-category = "main"
-optional = false
-python-versions = "*"
-
-[package.dependencies]
-numpy = "*"
-Pillow = "*"
-
-[[package]]
-name = "regex"
-version = "2022.10.31"
-description = "Alternative regular expression module, to replace re."
-category = "main"
-optional = true
-python-versions = ">=3.6"
-
-[[package]]
-name = "requests"
-version = "2.28.1"
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-optional = false
-python-versions = ">=3.7, <4"
-
-[package.dependencies]
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-charset-normalizer = ">=2,<3"
-idna = ">=2.5,<4"
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-
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-
-[[package]]
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-category = "main"
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-
-[package.dependencies]
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-[[package]]
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-
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@@ -2726,7 +2340,27 @@ scikit-learn = [
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 ]
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+
+[package.dependencies]
+joblib = ">=1.1.1"
+numpy = ">=1.17.3"
+scipy = ">=1.3.2"
+threadpoolctl = ">=2.0.0"
+
+[package.extras]
+benchmark = ["matplotlib (>=3.1.3)", "memory-profiler (>=0.57.0)", "pandas (>=1.0.5)"]
+docs = ["Pillow (>=7.1.2)", "matplotlib (>=3.1.3)", "memory-profiler (>=0.57.0)", "numpydoc (>=1.2.0)", "pandas (>=1.0.5)", "plotly (>=5.10.0)", "pooch (>=1.6.0)", "scikit-image (>=0.16.2)", "seaborn (>=0.9.0)", "sphinx (>=4.0.1)", "sphinx-gallery (>=0.7.0)", "sphinx-prompt (>=1.3.0)", "sphinxext-opengraph (>=0.4.2)"]
+examples = ["matplotlib (>=3.1.3)", "pandas (>=1.0.5)", "plotly (>=5.10.0)", "pooch (>=1.6.0)", "scikit-image (>=0.16.2)", "seaborn (>=0.9.0)"]
+tests = ["black (>=22.3.0)", "flake8 (>=3.8.2)", "matplotlib (>=3.1.3)", "mypy (>=0.961)", "numpydoc (>=1.2.0)", "pandas (>=1.0.5)", "pooch (>=1.6.0)", "pyamg (>=4.0.0)", "pytest (>=5.3.1)", "pytest-cov (>=2.9.0)", "scikit-image (>=0.16.2)"]
+
+[[package]]
+name = "scipy"
+version = "1.9.3"
+description = "Fundamental algorithms for scientific computing in Python"
+category = "main"
+optional = false
+python-versions = ">=3.8"
+files = [
     {file = "scipy-1.9.3-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:1884b66a54887e21addf9c16fb588720a8309a57b2e258ae1c7986d4444d3bc0"},
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@@ -2749,10 +2383,46 @@ scipy = [
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 ]
-sentence-transformers = [
+
+[package.dependencies]
+numpy = ">=1.18.5,<1.26.0"
+
+[package.extras]
+dev = ["flake8", "mypy", "pycodestyle", "typing_extensions"]
+doc = ["matplotlib (>2)", "numpydoc", "pydata-sphinx-theme (==0.9.0)", "sphinx (!=4.1.0)", "sphinx-panels (>=0.5.2)", "sphinx-tabs"]
+test = ["asv", "gmpy2", "mpmath", "pytest", "pytest-cov", "pytest-xdist", "scikit-umfpack", "threadpoolctl"]
+
+[[package]]
+name = "sentence-transformers"
+version = "2.2.2"
+description = "Multilingual text embeddings"
+category = "main"
+optional = true
+python-versions = ">=3.6.0"
+files = [
     {file = "sentence-transformers-2.2.2.tar.gz", hash = "sha256:dbc60163b27de21076c9a30d24b5b7b6fa05141d68cf2553fa9a77bf79a29136"},
 ]
-sentencepiece = [
+
+[package.dependencies]
+huggingface-hub = ">=0.4.0"
+nltk = "*"
+numpy = "*"
+scikit-learn = "*"
+scipy = "*"
+sentencepiece = "*"
+torch = ">=1.6.0"
+torchvision = "*"
+tqdm = "*"
+transformers = ">=4.6.0,<5.0.0"
+
+[[package]]
+name = "sentencepiece"
+version = "0.1.97"
+description = "SentencePiece python wrapper"
+category = "main"
+optional = true
+python-versions = "*"
+files = [
     {file = "sentencepiece-0.1.97-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:6f249c8f1852893be86eae66b19d522c5fb30bbad4fe2d1b07f06fdc86e1907e"},
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@@ -2791,31 +2461,107 @@ sentencepiece = [
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 ]
-setuptools = [
+
+[[package]]
+name = "setuptools"
+version = "65.6.3"
+description = "Easily download, build, install, upgrade, and uninstall Python packages"
+category = "main"
+optional = false
+python-versions = ">=3.7"
+files = [
     {file = "setuptools-65.6.3-py3-none-any.whl", hash = "sha256:57f6f22bde4e042978bcd50176fdb381d7c21a9efa4041202288d3737a0c6a54"},
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 ]
-six = [
+
+[package.extras]
+docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "pygments-github-lexers (==0.0.5)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-favicon", "sphinx-hoverxref (<2)", "sphinx-inline-tabs", "sphinx-notfound-page (==0.8.3)", "sphinx-reredirects", "sphinxcontrib-towncrier"]
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+testing-integration = ["build[virtualenv]", "filelock (>=3.4.0)", "jaraco.envs (>=2.2)", "jaraco.path (>=3.2.0)", "pytest", "pytest-enabler", "pytest-xdist", "tomli", "virtualenv (>=13.0.0)", "wheel"]
+
+[[package]]
+name = "six"
+version = "1.16.0"
+description = "Python 2 and 3 compatibility utilities"
+category = "main"
+optional = false
+python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*"
+files = [
     {file = "six-1.16.0-py2.py3-none-any.whl", hash = "sha256:8abb2f1d86890a2dfb989f9a77cfcfd3e47c2a354b01111771326f8aa26e0254"},
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 ]
-soupsieve = [
+
+[[package]]
+name = "soupsieve"
+version = "2.3.2.post1"
+description = "A modern CSS selector implementation for Beautiful Soup."
+category = "main"
+optional = true
+python-versions = ">=3.6"
+files = [
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 ]
-stack-data = [
+
+[[package]]
+name = "stack-data"
+version = "0.6.2"
+description = "Extract data from python stack frames and tracebacks for informative displays"
+category = "dev"
+optional = false
+python-versions = "*"
+files = [
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 ]
-threadpoolctl = [
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+asttokens = ">=2.1.0"
+executing = ">=1.2.0"
+pure-eval = "*"
+
+[package.extras]
+tests = ["cython", "littleutils", "pygments", "pytest", "typeguard"]
+
+[[package]]
+name = "threadpoolctl"
+version = "3.1.0"
+description = "threadpoolctl"
+category = "main"
+optional = false
+python-versions = ">=3.6"
+files = [
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 ]
-tinycss2 = [
+
+[[package]]
+name = "tinycss2"
+version = "1.2.1"
+description = "A tiny CSS parser"
+category = "main"
+optional = true
+python-versions = ">=3.7"
+files = [
     {file = "tinycss2-1.2.1-py3-none-any.whl", hash = "sha256:2b80a96d41e7c3914b8cda8bc7f705a4d9c49275616e886103dd839dfc847847"},
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 ]
-tokenizers = [
+
+[package.dependencies]
+webencodings = ">=0.4"
+
+[package.extras]
+doc = ["sphinx", "sphinx_rtd_theme"]
+test = ["flake8", "isort", "pytest"]
+
+[[package]]
+name = "tokenizers"
+version = "0.13.2"
+description = "Fast and Customizable Tokenizers"
+category = "main"
+optional = true
+python-versions = "*"
+files = [
     {file = "tokenizers-0.13.2-cp310-cp310-macosx_10_11_x86_64.whl", hash = "sha256:a6f36b1b499233bb4443b5e57e20630c5e02fba61109632f5e00dab970440157"},
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@@ -2824,11 +2570,14 @@ tokenizers = [
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+    {file = "tokenizers-0.13.2-cp311-cp311-macosx_10_11_universal2.whl", hash = "sha256:9eee037bb5aa14daeb56b4c39956164b2bebbe6ab4ca7779d88aa16b79bd4e17"},
+    {file = "tokenizers-0.13.2-cp311-cp311-macosx_12_0_arm64.whl", hash = "sha256:d1b079c4c9332048fec4cb9c2055c2373c74fbb336716a5524c9a720206d787e"},
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     {file = "tokenizers-0.13.2-cp311-cp311-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl", hash = "sha256:3606528c07cda0566cff6cbfbda2b167f923661be595feac95701ffcdcbdbb21"},
     {file = "tokenizers-0.13.2-cp311-cp311-manylinux_2_17_s390x.manylinux2014_s390x.whl", hash = "sha256:41291d0160946084cbd53c8ec3d029df3dc2af2673d46b25ff1a7f31a9d55d51"},
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     {file = "tokenizers-0.13.2-cp311-cp311-win32.whl", hash = "sha256:93714958d4ebe5362d3de7a6bd73dc86c36b5af5941ebef6c325ac900fa58865"},
+    {file = "tokenizers-0.13.2-cp311-cp311-win_amd64.whl", hash = "sha256:fa7ef7ee380b1f49211bbcfac8a006b1a3fa2fa4c7f4ee134ae384eb4ea5e453"},
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     {file = "tokenizers-0.13.2-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:a739d4d973d422e1073989769723f3b6ad8b11e59e635a63de99aea4b2208188"},
     {file = "tokenizers-0.13.2-cp37-cp37m-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl", hash = "sha256:cac01fc0b868e4d0a3aa7c5c53396da0a0a63136e81475d32fcf5c348fcb2866"},
@@ -2837,6 +2586,7 @@ tokenizers = [
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+    {file = "tokenizers-0.13.2-cp38-cp38-macosx_12_0_arm64.whl", hash = "sha256:f44d59bafe3d61e8a56b9e0a963075187c0f0091023120b13fbe37a87936f171"},
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@@ -2853,15 +2603,44 @@ tokenizers = [
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 ]
-toml = [
+
+[package.extras]
+dev = ["black (==22.3)", "datasets", "numpy", "pytest", "requests"]
+docs = ["setuptools-rust", "sphinx", "sphinx-rtd-theme"]
+testing = ["black (==22.3)", "datasets", "numpy", "pytest", "requests"]
+
+[[package]]
+name = "toml"
+version = "0.10.2"
+description = "Python Library for Tom's Obvious, Minimal Language"
+category = "main"
+optional = false
+python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*"
+files = [
     {file = "toml-0.10.2-py2.py3-none-any.whl", hash = "sha256:806143ae5bfb6a3c6e736a764057db0e6a0e05e338b5630894a5f779cabb4f9b"},
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 ]
-tomli = [
+
+[[package]]
+name = "tomli"
+version = "2.0.1"
+description = "A lil' TOML parser"
+category = "dev"
+optional = false
+python-versions = ">=3.7"
+files = [
     {file = "tomli-2.0.1-py3-none-any.whl", hash = "sha256:939de3e7a6161af0c887ef91b7d41a53e7c5a1ca976325f429cb46ea9bc30ecc"},
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 ]
-torch = [
+
+[[package]]
+name = "torch"
+version = "1.13.0"
+description = "Tensors and Dynamic neural networks in Python with strong GPU acceleration"
+category = "main"
+optional = true
+python-versions = ">=3.7.0"
+files = [
     {file = "torch-1.13.0-cp310-cp310-manylinux1_x86_64.whl", hash = "sha256:f68edfea71ade3862039ba66bcedf954190a2db03b0c41a9b79afd72210abd97"},
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@@ -2884,7 +2663,25 @@ torch = [
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 ]
-torchvision = [
+
+[package.dependencies]
+nvidia-cublas-cu11 = "11.10.3.66"
+nvidia-cuda-nvrtc-cu11 = "11.7.99"
+nvidia-cuda-runtime-cu11 = "11.7.99"
+nvidia-cudnn-cu11 = "8.5.0.96"
+typing-extensions = "*"
+
+[package.extras]
+opt-einsum = ["opt-einsum (>=3.3)"]
+
+[[package]]
+name = "torchvision"
+version = "0.14.0"
+description = "image and video datasets and models for torch deep learning"
+category = "main"
+optional = true
+python-versions = ">=3.7"
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@@ -2905,7 +2702,25 @@ torchvision = [
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+
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@@ -2918,31 +2733,170 @@ tornado = [
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 ]
+
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+docs = ["furo", "jaraco.packaging (>=9)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)"]
+testing = ["flake8 (<5)", "func-timeout", "jaraco.functools", "jaraco.itertools", "more-itertools", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=1.3)", "pytest-flake8", "pytest-mypy (>=0.9.1)"]
+
+[extras]
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+mordred = ["mordred"]
+polybert = ["sentence-transformers"]
+
+[metadata]
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