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environment.yml
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environment.yml
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name: flowback_env
channels:
- bioconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- asttokens=2.4.1=pyhd8ed1ab_0
- astunparse=1.6.3=pyhd8ed1ab_0
- blosc=1.21.5=h0f2a231_0
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.23.0=hd590300_0
- c-blosc2=2.11.3=hb4ffafa_0
- ca-certificates=2024.2.2=hbcca054_0
- cudatoolkit=11.8.0=h4ba93d1_12
- decorator=5.1.1=pyhd8ed1ab_0
- exceptiongroup=1.2.0=pyhd8ed1ab_0
- executing=2.0.1=pyhd8ed1ab_0
- gawk=5.1.0=h7b6447c_0
- hdf5=1.14.3=nompi_h4f84152_100
- ipython=8.18.1=pyh707e725_3
- ipywidgets=8.1.1=pyhd8ed1ab_0
- jedi=0.19.1=pyhd8ed1ab_0
- jupyterlab_widgets=3.0.9=pyhd8ed1ab_0
- keyutils=1.6.1=h166bdaf_0
- krb5=1.21.2=h659d440_0
- ld_impl_linux-64=2.38=h1181459_1
- libaec=1.1.2=h59595ed_1
- libblas=3.9.0=20_linux64_openblas
- libcblas=3.9.0=20_linux64_openblas
- libcurl=8.5.0=hca28451_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=hd590300_2
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=13.2.0=h807b86a_3
- libgfortran-ng=13.2.0=h69a702a_3
- libgfortran5=13.2.0=ha4646dd_3
- libidn2=2.3.4=h5eee18b_0
- liblapack=3.9.0=20_linux64_openblas
- libnghttp2=1.58.0=h47da74e_1
- libopenblas=0.3.25=pthreads_h413a1c8_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_3
- libunistring=0.9.10=h27cfd23_0
- libuuid=1.41.5=h5eee18b_0
- libzlib=1.2.13=hd590300_5
- llvm-openmp=17.0.6=h4dfa4b3_0
- lz4-c=1.9.4=hcb278e6_0
- lzo=2.10=h516909a_1000
- matplotlib-inline=0.1.6=pyhd8ed1ab_0
- mdtraj=1.9.9=py310h523e8d7_1
- mmseqs2=13.45111=h95f258a_1
- ncurses=6.4=h6a678d5_0
- nglview=3.0.8=pyh1da8cd4_0
- nomkl=1.0=h5ca1d4c_0
- numexpr=2.8.7=py310hc2d3c2e_104
- ocl-icd=2.3.1=h7f98852_0
- ocl-icd-system=1.0.0=1
- openmm=8.1.1=py310h43b6314_0
- openssl=3.2.1=hd590300_0
- packaging=23.2=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- pdbfixer=1.9=pyh1a96a4e_0
- pickleshare=0.7.5=py_1003
- pip=23.3.1=py310h06a4308_0
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- py-cpuinfo=9.0.0=pyhd8ed1ab_0
- pygments=2.17.2=pyhd8ed1ab_0
- pyparsing=3.1.1=pyhd8ed1ab_0
- pytables=3.9.2=py310h374b01c_1
- python=3.10.13=h955ad1f_0
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=2_cp310
- pytz=2023.3.post1=pyhd8ed1ab_0
- readline=8.2=h5eee18b_0
- scipy=1.11.4=py310hb13e2d6_0
- setuptools=68.0.0=py310h06a4308_0
- six=1.16.0=pyh6c4a22f_0
- snappy=1.1.10=h9fff704_0
- sqlite=3.41.2=h5eee18b_0
- stack_data=0.6.2=pyhd8ed1ab_0
- tk=8.6.12=h1ccaba5_0
- traitlets=5.14.0=pyhd8ed1ab_0
- typing_extensions=4.9.0=pyha770c72_0
- tzdata=2023c=h04d1e81_0
- wcwidth=0.2.12=pyhd8ed1ab_0
- wget=1.21.4=h251f7ec_1
- wheel=0.41.2=py310h06a4308_0
- widgetsnbextension=4.0.9=pyhd8ed1ab_0
- xz=5.4.5=h5eee18b_0
- zlib=1.2.13=hd590300_5
- zlib-ng=2.0.7=h0b41bf4_0
- zstd=1.5.5=hfc55251_0
- pip:
- absl-py==2.0.0
- aiohttp==3.9.1
- aiosignal==1.3.1
- anndata==0.10.3
- annotated-types==0.6.0
- array-api-compat==1.4
- async-timeout==4.0.3
- attrs==23.1.0
- beartype==0.17.0
- biopython==1.79
- cachetools==5.3.2
- certifi==2022.12.7
- charset-normalizer==2.1.1
- clean-fid==0.1.35
- comm==0.2.0
- contourpy==1.2.0
- cycler==0.12.1
- debugpy==1.8.0
- deepspeed==0.13.1
- egnn-pytorch==0.2.7
- einops==0.7.0
- einx==0.1.3
- equiformer-pytorch==0.5.3
- filelock==3.9.0
- fonttools==4.46.0
- frozendict==2.4.0
- frozenlist==1.4.0
- fsspec==2023.4.0
- google-auth==2.25.2
- google-auth-oauthlib==1.2.0
- grpcio==1.60.0
- h5py==3.10.0
- hjson==3.1.0
- idna==3.4
- ipykernel==6.27.1
- jinja2==3.1.2
- joblib==1.3.2
- jupyter-client==8.6.0
- jupyter-core==5.5.0
- k-means-constrained==0.7.3
- kiwisolver==1.4.5
- lightning-bolts==0.7.0
- lightning-utilities==0.10.0
- llvmlite==0.41.1
- markdown==3.5.1
- markupsafe==2.1.3
- matplotlib==3.8.2
- mpmath==1.3.0
- multidict==6.0.4
- natsort==8.4.0
- nest-asyncio==1.5.8
- networkx==3.0
- ninja==1.11.1.1
- numba==0.58.1
- numpy==1.23.5
- oauthlib==3.2.2
- opt-einsum==3.3.0
- ortools==9.8.3296
- pandas==2.0.3
- pastel==0.2.1
- patsy==0.5.4
- pexpect==4.9.0
- pillow==9.3.0
- platformdirs==4.1.0
- poethepoet==0.10.0
- pot==0.9.1
- prody==2.4.1
- prompt-toolkit==3.0.43
- protobuf==4.25.2
- psutil==5.9.6
- py3dmol==2.0.4
- pyasn1==0.5.1
- pyasn1-modules==0.3.0
- pydantic==2.6.1
- pydantic-core==2.16.2
- pyg-lib==0.3.1+pt21cu118
- pynndescent==0.5.11
- pynvml==11.5.0
- pytorch-lightning==1.9.5
- pyyaml==6.0.1
- pyzmq==25.1.2
- requests==2.28.1
- requests-oauthlib==1.3.1
- rotary-embedding-torch==0.5.3
- rsa==4.9
- scanpy==1.9.6
- scikit-learn==1.3.2
- scprep==1.2.3
- seaborn==0.12.2
- session-info==1.0.0
- sidechainnet==1.0.1
- stack-data==0.6.3
- statsmodels==0.14.0
- stdlib-list==0.10.0
- sympy==1.12
- taylor-series-linear-attention==0.1.9
- tensorboard==2.15.1
- tensorboard-data-server==0.7.2
- threadpoolctl==3.2.0
- tomlkit==0.12.3
- torch==2.1.1+cu118
- torch-cluster==1.6.3+pt21cu118
- torch-geometric==2.4.0
- torch-scatter==2.1.2+pt21cu118
- torch-sparse==0.6.18+pt21cu118
- torch-spline-conv==1.2.2+pt21cu118
- torchaudio==2.1.1+cu118
- torchcde==0.2.5
- torchcfm==1.0.5
- torchdiffeq==0.2.3
- torchdyn==1.0.6
- torchmetrics==1.2.1
- torchsde==0.2.6
- torchtyping==0.1.4
- torchvision==0.16.1+cu118
- tornado==6.4
- tqdm==4.66.1
- trampoline==0.1.2
- triton==2.1.0
- typeguard==4.1.5
- umap-learn==0.5.5
- urllib3==1.26.13
- werkzeug==3.0.1
- yarl==1.9.4
prefix: /scratch/midway2/mikejones/conda_env/torchcfm_11.8