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requirements.txt
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requirements.txt
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# This file may be used to create an environment using:
# $ conda create --name <env> --file <this file>
# platform: linux-64
_libgcc_mutex=0.1=conda_forge
_openmp_mutex=4.5=2_gnu
absl-py=1.4.0=pypi_0
aiohttp=3.8.5=py311h459d7ec_0
aiosignal=1.3.1=pyhd8ed1ab_0
astor=0.8.1=pypi_0
astropy=5.3.3=pypi_0
async-timeout=4.0.3=pyhd8ed1ab_0
attrs=23.1.0=pyh71513ae_1
aws-c-auth=0.7.3=he2921ad_3
aws-c-cal=0.6.2=hc309b26_1
aws-c-common=0.9.0=hd590300_0
aws-c-compression=0.2.17=h4d4d85c_2
aws-c-event-stream=0.3.2=h2e3709c_0
aws-c-http=0.7.12=hc865f51_1
aws-c-io=0.13.32=h1a03231_3
aws-c-mqtt=0.9.6=h3a0376c_0
aws-c-s3=0.3.17=h1678ad6_0
aws-c-sdkutils=0.1.12=h4d4d85c_1
aws-checksums=0.1.17=h4d4d85c_1
aws-crt-cpp=0.23.1=hf7d0843_2
aws-sdk-cpp=1.11.156=he6c2984_2
biopython=1.81=pypi_0
biotite=0.38.0=pypi_0
brotli-python=1.1.0=py311hb755f60_0
bzip2=1.0.8=h7f98852_4
c-ares=1.19.1=hd590300_0
ca-certificates=2024.2.2=hbcca054_0
cachetools=5.3.1=pypi_0
certifi=2023.5.7=pypi_0
charset-normalizer=3.2.0=pyhd8ed1ab_0
click=8.1.7=unix_pyh707e725_0
cloudpickle=2.2.1=pypi_0
cmake=3.26.4=pypi_0
colorama=0.4.6=pyhd8ed1ab_0
contextlib2=21.6.0=pypi_0
contourpy=1.1.1=pypi_0
cycler=0.11.0=pypi_0
dataclasses=0.8=pyhc8e2a94_3
datasets=2.14.5=py_0
dill=0.3.7=pyhd8ed1ab_0
e3nn=0.5.1=pypi_0
easydict=1.10=pypi_0
filelock=3.11.0=pypi_0
fonttools=4.42.1=pypi_0
frozenlist=1.4.0=py311h459d7ec_1
fsspec=2023.9.2=pyh1a96a4e_0
gflags=2.2.2=he1b5a44_1004
glog=0.6.0=h6f12383_0
google-auth=2.22.0=pypi_0
google-auth-oauthlib=1.0.0=pypi_0
grpcio=1.56.0=pypi_0
huggingface_hub=0.17.3=py_0
idna=3.4=pyhd8ed1ab_0
importlib-metadata=6.8.0=pyha770c72_0
importlib_metadata=6.8.0=hd8ed1ab_0
jinja2=3.1.2=pypi_0
joblib=1.3.1=pypi_0
json-tricks=3.17.3=pypi_0
keyutils=1.6.1=h166bdaf_0
kiwisolver=1.4.5=pypi_0
krb5=1.21.2=h659d440_0
ld_impl_linux-64=2.40=h41732ed_0
lddt=2.2=h9ee0642_0
libabseil=20230802.1=cxx17_h59595ed_0
libarrow=13.0.0=h1935d02_4_cpu
libblas=3.9.0=18_linux64_openblas
libbrotlicommon=1.1.0=hd590300_0
libbrotlidec=1.1.0=hd590300_0
libbrotlienc=1.1.0=hd590300_0
libcblas=3.9.0=18_linux64_openblas
libcrc32c=1.1.2=h9c3ff4c_0
libcurl=8.3.0=hca28451_0
libedit=3.1.20191231=he28a2e2_2
libev=4.33=h516909a_1
libevent=2.1.12=hf998b51_1
libexpat=2.5.0=hcb278e6_1
libffi=3.4.2=h7f98852_5
libgcc-ng=13.1.0=he5830b7_0
libgfortran-ng=13.2.0=h69a702a_0
libgfortran5=13.2.0=ha4646dd_0
libgomp=13.1.0=he5830b7_0
libgoogle-cloud=2.12.0=h8d7e28b_2
libgrpc=1.57.0=ha4d0f93_1
liblapack=3.9.0=18_linux64_openblas
libnghttp2=1.52.0=h61bc06f_0
libnsl=2.0.0=h7f98852_0
libnuma=2.0.16=h0b41bf4_1
libopenblas=0.3.24=pthreads_h413a1c8_0
libprotobuf=4.23.4=hf27288f_6
libsqlite=3.42.0=h2797004_0
libssh2=1.11.0=h0841786_0
libstdcxx-ng=13.2.0=h7e041cc_2
libthrift=0.19.0=h8fd135c_0
libutf8proc=2.8.0=h166bdaf_0
libuuid=2.38.1=h0b41bf4_0
libzlib=1.2.13=hd590300_5
lightning-utilities=0.9.0=pypi_0
lit=16.0.6=pypi_0
lmdb=1.4.1=pypi_0
lz4-c=1.9.4=hcb278e6_0
markdown=3.4.3=pypi_0
markupsafe=2.1.3=pypi_0
matplotlib=3.8.0=pypi_0
mpmath=1.3.0=pypi_0
msgpack=1.0.6=pypi_0
multidict=6.0.4=py311h2582759_0
multiprocess=0.70.15=py311h459d7ec_1
ncurses=6.4=hcb278e6_0
networkx=3.1=pypi_0
nni=3.0=pypi_0
numpy=1.25.1=pypi_0
nvidia-cublas-cu11=11.10.3.66=pypi_0
nvidia-cuda-cupti-cu11=11.7.101=pypi_0
nvidia-cuda-nvrtc-cu11=11.7.99=pypi_0
nvidia-cuda-runtime-cu11=11.7.99=pypi_0
nvidia-cudnn-cu11=8.5.0.96=pypi_0
nvidia-cufft-cu11=10.9.0.58=pypi_0
nvidia-curand-cu11=10.2.10.91=pypi_0
nvidia-cusolver-cu11=11.4.0.1=pypi_0
nvidia-cusparse-cu11=11.7.4.91=pypi_0
nvidia-ml-py=12.535.108=pypi_0
nvidia-nccl-cu11=2.14.3=pypi_0
nvidia-nvtx-cu11=11.7.91=pypi_0
oauthlib=3.2.2=pypi_0
openssl=3.2.1=hd590300_1
opt-einsum=3.3.0=pypi_0
opt-einsum-fx=0.1.4=pypi_0
orc=1.9.0=h52d3b3c_2
packaging=23.1=pyhd8ed1ab_0
pandas=2.1.1=py311h320fe9a_0
pillow=10.0.0=pypi_0
pip=23.2=pyhd8ed1ab_0
prettytable=3.9.0=pypi_0
protobuf=4.23.4=pypi_0
psutil=5.9.5=pypi_0
pyarrow=13.0.0=py311h39c9aba_4_cpu
pyasn1=0.5.0=pypi_0
pyasn1-modules=0.3.0=pypi_0
pyerfa=2.0.0.3=pypi_0
pyg-lib=0.2.0+pt20cu117=pypi_0
pyparsing=3.1.0=pypi_0
pysocks=1.7.1=pyha2e5f31_6
python=3.11.4=hab00c5b_0_cpython
python-dateutil=2.8.2=pyhd8ed1ab_0
python-tzdata=2023.3=pyhd8ed1ab_0
python-xxhash=3.3.0=py311h459d7ec_1
python_abi=3.11=4_cp311
pythonwebhdfs=0.2.3=pypi_0
pytorch-lightning=2.0.9=pypi_0
pytz=2023.3.post1=pyhd8ed1ab_0
pyyaml=6.0.1=py311h459d7ec_1
rdkit=2023.3.2=pypi_0
rdma-core=28.9=h59595ed_1
re2=2023.03.02=h8c504da_0
readline=8.2=h8228510_1
regex=2023.8.8=py311h459d7ec_1
requests=2.31.0=pyhd8ed1ab_0
requests-oauthlib=1.3.1=pypi_0
responses=0.23.3=pypi_0
rsa=4.9=pypi_0
s2n=1.3.51=h06160fa_0
sacremoses=master=py_0
safetensors=0.3.3=py311h46250e7_1
schema=0.7.5=pypi_0
scikit-learn=1.3.0=pypi_0
scipy=1.11.1=pypi_0
seaborn=0.12.2=pypi_0
setuptools=68.0.0=pyhd8ed1ab_0
simplejson=3.19.1=pypi_0
six=1.16.0=pyh6c4a22f_0
snappy=1.1.10=h9fff704_0
sympy=1.12=pypi_0
tensorboard=2.13.0=pypi_0
tensorboard-data-server=0.7.1=pypi_0
threadpoolctl=3.2.0=pypi_0
tk=8.6.12=h27826a3_0
tokenizers=0.13.3=py311h1b04a43_0
torch=2.0.1=pypi_0
torch-cluster=1.6.1+pt20cu117=pypi_0
torch-geometric=2.3.1=pypi_0
torch-scatter=2.1.1+pt20cu117=pypi_0
torch-sparse=0.6.17+pt20cu117=pypi_0
torch-spline-conv=1.2.2+pt20cu117=pypi_0
torchaudio=2.0.2=pypi_0
torchmetrics=1.2.0=pypi_0
torchvision=0.15.2=pypi_0
tqdm=4.65.0=pypi_0
transformers=4.33.2=pyhd8ed1ab_0
triton=2.0.0=pypi_0
typeguard=4.1.2=pypi_0
types-pyyaml=6.0.12.12=pypi_0
typing-extensions=4.7.1=pypi_0
typing_extensions=4.8.0=pyha770c72_0
tzdata=2023c=h71feb2d_0
ucx=1.14.1=h64cca9d_5
urllib3=1.26.16=pypi_0
wcwidth=0.2.6=pypi_0
websockets=11.0.3=pypi_0
werkzeug=2.3.6=pypi_0
wheel=0.40.0=pyhd8ed1ab_1
xxhash=0.8.2=hd590300_0
xz=5.2.6=h166bdaf_0
yaml=0.2.5=h7f98852_2
yarl=1.9.2=py311h459d7ec_0
zipp=3.17.0=pyhd8ed1ab_0
zstd=1.5.5=hfc55251_0