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environment.yaml
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environment.yaml
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name: pytorch
channels:
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/pytorch
- rdkit
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
- conda-forge
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- blas=1.0=mkl
- boost=1.63.0=py36h415b752_1
- bzip2=1.0.8=h516909a_3
- ca-certificates=2021.10.8=ha878542_0
- cairo=1.16.0=h18b612c_1001
- cudatoolkit=10.2.89=hfd86e86_1
- entrypoints=0.3=pyhd8ed1ab_1003
- fontconfig=2.13.1=he4413a7_1000
- freetype=2.10.3=he06d7ca_0
- gettext=0.19.8.1=hf34092f_1003
- glib=2.66.1=he1b5a44_1
- icu=58.2=hf484d3e_1000
- intel-openmp=2020.2=254
- ipykernel=5.5.5=py36hcb3619a_0
- ipython=5.8.0=py36_1
- ipython_genutils=0.2.0=py_1
- joblib=0.17.0=py_0
- jpeg=9d=h516909a_0
- jupyter_client=7.0.6=pyhd8ed1ab_0
- jupyter_core=4.8.1=py36h5fab9bb_0
- lcms2=2.11=hbd6801e_0
- ld_impl_linux-64=2.35=h769bd43_9
- libblas=3.8.0=16_mkl
- libboost=1.65.1=habcd387_4
- libcblas=3.8.0=16_mkl
- libffi=3.2.1=he1b5a44_1007
- libgcc-ng=9.3.0=h5dbcf3e_17
- libgfortran-ng=9.3.0=he4bcb1c_17
- libgfortran5=9.3.0=he4bcb1c_17
- libglib=2.66.1=h0dae87d_1
- libgomp=9.3.0=h5dbcf3e_17
- libiconv=1.16=h516909a_0
- liblapack=3.8.0=16_mkl
- libopenblas=0.3.10=pthreads_h4812303_5
- libpng=1.6.37=hed695b0_2
- libsodium=1.0.18=h36c2ea0_1
- libstdcxx-ng=9.3.0=h2ae2ef3_17
- libtiff=4.1.0=hc7e4089_6
- libuuid=2.32.1=h14c3975_1000
- libwebp-base=1.1.0=h516909a_3
- libxcb=1.13=h14c3975_1002
- libxml2=2.9.10=he19cac6_1
- lz4-c=1.9.2=he1b5a44_3
- mkl=2020.2=256
- ncurses=6.2=he1b5a44_2
- nest-asyncio=1.5.1=pyhd8ed1ab_0
- numpy=1.19.2=py36h3849536_1
- olefile=0.46=pyh9f0ad1d_1
- openssl=1.1.1l=h7f8727e_0
- pandas=1.1.3=py36h7c3b610_2
- pcre=8.44=he1b5a44_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pillow=8.0.0=py36h8328e55_0
- pip=20.2.4=py_0
- pixman=0.38.0=h516909a_1003
- prompt_toolkit=1.0.15=py_1
- pthread-stubs=0.4=h14c3975_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pygments=2.10.0=pyhd8ed1ab_0
- python=3.6.11=h4d41432_2_cpython
- python-dateutil=2.8.1=py_0
- python_abi=3.6=1_cp36m
- pytz=2020.1=pyh9f0ad1d_0
- pyzmq=19.0.2=py36h9947dbf_2
- rdkit=2017.09.1=py36_1
- readline=8.0=he28a2e2_2
- scikit-learn=0.23.2=py36hfb379a7_0
- scipy=1.5.2=py36h82117a9_2
- setuptools=49.6.0=py36h9880bd3_2
- simplegeneric=0.8.1=py_1
- six=1.15.0=pyh9f0ad1d_0
- sqlite=3.33.0=h4cf870e_1
- threadpoolctl=2.1.0=pyh5ca1d4c_0
- tk=8.6.10=hed695b0_1
- torchvision=0.6.0=py36_cu102
- tornado=6.1=py36h8f6f2f9_1
- traitlets=4.3.3=pyhd8ed1ab_2
- wcwidth=0.2.5=pyh9f0ad1d_2
- wheel=0.35.1=pyh9f0ad1d_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.12=h516909a_0
- xorg-libxau=1.0.9=h14c3975_0
- xorg-libxdmcp=1.1.3=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.5=h516909a_1
- zeromq=4.3.4=h9c3ff4c_0
- zlib=1.2.11=h516909a_1010
- zstd=1.4.5=h6597ccf_2
- pip:
- alabaster==0.7.12
- ase==3.20.1
- autopep8==1.6.0
- babel==2.10.1
- certifi==2021.10.8
- chardet==3.0.4
- click==8.0.4
- cycler==0.10.0
- dataclasses==0.8
- decorator==4.4.2
- deepspeed==0.6.1
- dgl-cu102==0.8.1
- dglgo==0.0.1
- docutils==0.17.1
- et-xmlfile==1.1.0
- filelock==3.4.1
- future==0.18.2
- gensim==3.8.3
- googledrivedownloader==0.4
- h5py==2.10.0
- hjson==3.0.2
- huggingface-hub==0.4.0
- idna==2.10
- imagesize==1.3.0
- importlib-metadata==4.8.3
- isodate==0.6.0
- isort==5.10.1
- jinja2==2.11.2
- kiwisolver==1.2.0
- littleutils==0.2.2
- llvmlite==0.34.0
- lmdb==1.3.0
- markupsafe==1.1.1
- matplotlib==3.3.2
- mpi4py==3.1.3
- networkx==2.5
- ninja==1.10.2.3
- numba==0.51.2
- numpydoc==1.1.0
- ogb==1.3.3
- openpyxl==3.0.10
- outdated==0.2.1
- packaging==21.3
- pbr==5.9.0
- psutil==5.9.0
- py-cpuinfo==8.0.0
- pycodestyle==2.8.0
- pydantic==1.9.0
- pyparsing==2.4.7
- pyreadr==0.4.4
- pysmiles==1.0.1
- pytorch-crf==0.7.2
- pyyaml==6.0
- rdflib==5.0.0
- regex==2022.3.15
- requests==2.24.0
- ruamel-yaml==0.17.21
- ruamel-yaml-clib==0.2.6
- sacremoses==0.0.49
- smart-open==4.0.1
- snowballstemmer==2.2.0
- sphinx==4.5.0
- sphinxcontrib-applehelp==1.0.2
- sphinxcontrib-devhelp==1.0.2
- sphinxcontrib-htmlhelp==2.0.0
- sphinxcontrib-jsmath==1.0.1
- sphinxcontrib-qthelp==1.0.3
- sphinxcontrib-serializinghtml==1.1.5
- texttable==1.6.4
- tokenizers==0.11.6
- toml==0.10.2
- torch==1.10.2
- torch-cluster==1.5.7
- torch-geometric==1.6.1
- torch-scatter==2.0.5
- torch-sparse==0.6.7
- torch-spline-conv==1.2.0
- tqdm==4.50.2
- transformers==4.18.0
- typer==0.4.1
- typing-extensions==4.1.1
- urllib3==1.25.10
- xgboost==1.5.2
- xlrd==2.0.1
- zipp==3.6.0
prefix: /data2/users/xjc/anaconda3/envs/pytorch