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env.yaml
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name: PrefixMol
channels:
- pytorch
- pyg
- iopath
- fvcore
- conda-forge
- http://mirrors.ustc.edu.cn/anaconda/pkgs/main
- http://mirrors.ustc.edu.cn/anaconda/cloud/conda-forge
- http://mirrors.ustc.edu.cn/anaconda/cloud/menpo/
- http://mirrors.ustc.edu.cn/anaconda/cloud/bioconda/
- http://mirrors.ustc.edu.cn/anaconda/cloud/msys2/
- http://mirrors.ustc.edu.cn/anaconda/cloud/conda-forge/
- http://mirrors.ustc.edu.cn/anaconda/pkgs/free/
- http://mirrors.ustc.edu.cn/anaconda/pkgs/main/
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- blas=1.0=mkl
- boost=1.74.0=py37h796e4cb_5
- boost-cpp=1.74.0=h75c5d50_8
- brotlipy=0.7.0=py37h27cfd23_1003
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2023.01.10=h06a4308_0
- cairo=1.16.0=hb05425b_3
- certifi=2022.12.7=py37h06a4308_0
- cffi=1.15.1=py37h5eee18b_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- cryptography=39.0.1=py37h9ce1e76_0
- cudatoolkit=11.3.1=h9edb442_10
- cycler=0.11.0=pyhd8ed1ab_0
- decorator=4.4.0=py37_1
- easydict=1.9=py_0
- fontconfig=2.14.1=hef1e5e3_0
- freetype=2.10.4=hca18f0e_2
- fvcore=0.1.5.post20210915=py37
- giflib=5.2.1=h36c2ea0_2
- glib=2.69.1=he621ea3_2
- icu=70.1=h27087fc_0
- idna=3.4=py37h06a4308_0
- iopath=0.1.9=py37
- jinja2=3.1.2=py37h06a4308_0
- joblib=1.1.1=py37h06a4308_0
- jpeg=9e=h0b41bf4_3
- kiwisolver=1.4.4=py37h6a678d5_0
- lcms2=2.15=hfd0df8a_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libblas=3.9.0=16_linux64_mkl
- libcblas=3.9.0=16_linux64_mkl
- libdeflate=1.17=h0b41bf4_0
- libffi=3.4.2=h6a678d5_6
- libgcc-ng=12.2.0=h65d4601_19
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libiconv=1.17=h166bdaf_0
- liblapack=3.9.0=16_linux64_mkl
- libnsl=2.0.0=h5eee18b_0
- libpng=1.6.39=h753d276_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtiff=4.5.0=h6a678d5_2
- libuv=1.44.2=h166bdaf_0
- libwebp=1.2.4=h1daa5a0_1
- libwebp-base=1.2.4=h166bdaf_0
- libxcb=1.15=h7f8727e_0
- libxml2=2.9.14=h22db469_4
- libzlib=1.2.13=h166bdaf_4
- llvm-openmp=14.0.6=h9e868ea_0
- lz4-c=1.9.3=h9c3ff4c_1
- markupsafe=2.1.1=py37h7f8727e_0
- matplotlib-base=3.4.3=py37h1058ff1_2
- mkl=2022.1.0=h84fe81f_915
- ncurses=6.4=h6a678d5_0
- networkx=2.5.1=pyhd8ed1ab_0
- numpy=1.21.6=py37h976b520_0
- openbabel=3.1.1=py37h6aa62a1_3
- openssl=1.1.1t=h7f8727e_0
- pandas=1.2.3=py37hdc94413_0
- pcre=8.45=h9c3ff4c_0
- pillow=9.4.0=py37h6a678d5_0
- pip=22.3.1=py37h06a4308_0
- pixman=0.40.0=h36c2ea0_0
- portalocker=1.4.0=py_0
- pycairo=1.21.0=py37h287db57_0
- pycparser=2.21=pyhd3eb1b0_0
- pyg=2.0.4=py37_torch_1.10.0_cu113
- pyopenssl=23.0.0=py37h06a4308_0
- pyparsing=3.0.9=py37h06a4308_0
- pysocks=1.7.1=py37_1
- python=3.7.12=hb7a2778_100_cpython
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-lmdb=1.4.0=py37h6a678d5_0
- python-louvain=0.15=pyhd3eb1b0_0
- python_abi=3.7=3_cp37m
- pytorch=1.10.1=py3.7_cuda11.3_cudnn8.2.0_0
- pytorch-cluster=1.6.0=py37_torch_1.10.0_cu113
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.0.9=py37_torch_1.10.0_cu113
- pytorch-sparse=0.6.13=py37_torch_1.10.0_cu113
- pytorch-spline-conv=1.2.1=py37_torch_1.10.0_cu113
- pytz=2022.7=py37h06a4308_0
- pyyaml=6.0=py37h540881e_4
- readline=8.2=h5eee18b_0
- reportlab=3.6.12=py37h5eee18b_0
- requests=2.28.1=py37h06a4308_0
- scikit-learn=1.0.2=py37hf9e9bfc_0
- scipy=1.7.3=py37hf2a6cf1_0
- setuptools=59.8.0=py37h89c1867_1
- six=1.16.0=pyhd3eb1b0_1
- sqlalchemy=1.3.24=py37h540881e_1
- sqlite=3.40.1=h5082296_0
- tabulate=0.9.0=pyhd8ed1ab_1
- tbb=2021.5.0=h924138e_1
- termcolor=2.2.0=pyhd8ed1ab_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- tornado=6.2=py37h540881e_0
- tqdm=4.64.1=py37h06a4308_0
- typing_extensions=4.4.0=pyha770c72_0
- urllib3=1.26.14=py37h06a4308_0
- wheel=0.38.4=py37h06a4308_0
- xz=5.2.10=h5eee18b_1
- yacs=0.1.6=pyhd3eb1b0_1
- yaml=0.2.5=h7b6447c_0
- zlib=1.2.13=h166bdaf_4
- zstd=1.5.2=h8a70e8d_1
- pip:
- absl-py==1.4.0
- aiohttp==3.8.4
- aiosignal==1.3.1
- astor==0.8.1
- astunparse==1.6.3
- async-timeout==4.0.2
- asynctest==0.13.0
- attrs==22.2.0
- cachetools==5.3.0
- cloudpickle==2.2.1
- colorama==0.4.6
- contextlib2==21.6.0
- debugpy==1.6.6
- deepchem==2.7.1
- dill==0.3.6
- filelock==3.9.0
- flatbuffers==23.3.3
- frozenlist==1.3.3
- fsspec==2023.1.0
- gast==0.4.0
- google-auth==2.16.2
- google-auth-oauthlib==0.4.6
- google-pasta==0.2.0
- grpcio==1.51.3
- h5py==3.8.0
- huggingface-hub==0.13.1
- importlib-metadata==6.0.0
- jax==0.3.25
- jaxlib==0.3.25
- json-tricks==3.16.1
- keras==2.11.0
- libclang==15.0.6.1
- lightning-utilities==0.8.0
- markdown==3.4.1
- multidict==6.0.4
- nni==2.10
- oauthlib==3.2.2
- opt-einsum==3.3.0
- packaging==23.0
- partialsmiles==1.0
- prettytable==3.6.0
- protobuf==3.19.6
- psutil==5.9.4
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pythonwebhdfs==0.2.3
- pytorch-lightning==1.9.4
- pytorch3d==0.7.2
- rdkit==2022.9.5
- regex==2022.10.31
- requests-oauthlib==1.3.1
- responses==0.23.1
- rsa==4.9
- schema==0.7.5
- simplejson==3.18.3
- tensorboard==2.11.2
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- tensorflow==2.11.0
- tensorflow-estimator==2.11.0
- tensorflow-io-gcs-filesystem==0.31.0
- tokenizers==0.13.2
- torchmetrics==0.11.4
- transformers==4.26.1
- typeguard==2.13.3
- types-pyyaml==6.0.12.8
- wcwidth==0.2.6
- websockets==10.4
- werkzeug==2.2.3
- wrapt==1.15.0
- yarl==1.8.2
- zipp==3.15.0