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environment.yml
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environment.yml
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name: chemprop
channels:
- rdkit
- pytorch
- anaconda
- defaults
dependencies:
- aiohttp=3.7.3=py37h2bbff1b_1
- async-timeout=3.0.1=py37_0
- attrs=20.3.0=pyhd3eb1b0_0
- backcall=0.2.0=py_0
- blas=1.0=mkl
- blinker=1.4=py37_0
- brotlipy=0.7.0=py37h2bbff1b_1003
- ca-certificates=2020.12.8=haa95532_0
- cairo=1.14.12=hf171d8a_3
- certifi=2020.12.5=py37haa95532_0
- cffi=1.14.4=py37hcd4344a_0
- chardet=3.0.4=py37haa95532_1003
- click=7.1.2=py_0
- colorama=0.4.3=py_0
- cryptography=3.3.1=py37hcd4344a_0
- cudatoolkit=10.2.89=h74a9793_1
- decorator=4.4.2=py_0
- freetype=2.10.2=hd328e21_0
- grpcio=1.31.0=py37he7da953_0
- h5py=2.10.0=py37h5e291fa_0
- hdf5=1.10.4=h7ebc959_0
- icc_rt=2019.0.0=h0cc432a_1
- icu=58.2=ha925a31_3
- idna=2.10=py_0
- intel-openmp=2020.1=216
- ipython=7.16.1=py37h5ca1d4c_0
- ipython_genutils=0.2.0=py37_0
- jedi=0.17.1=py37_0
- jpeg=9b=hb83a4c4_2
- libboost=1.67.0=hd9e427e_4
- libpng=1.6.37=h2a8f88b_0
- libprotobuf=3.13.0.1=h200bbdf_0
- libtiff=4.1.0=h56a325e_1
- lz4-c=1.9.2=h62dcd97_1
- mkl=2020.1=216
- mkl-service=2.3.0=py37hb782905_0
- mkl_fft=1.1.0=py37h45dec08_0
- mkl_random=1.1.1=py37h47e9c7a_0
- multidict=4.7.6=py37he774522_1
- ninja=1.10.0=py37h7ef1ec2_0
- oauthlib=3.1.0=py_0
- olefile=0.46=py37_0
- openssl=1.1.1i=h2bbff1b_0
- pandas=1.0.5=py37h47e9c7a_0
- parso=0.7.0=py_0
- pickleshare=0.7.5=py37_1001
- pillow=7.2.0=py37hcc1f983_0
- pip=20.1.1=py37_1
- pixman=0.40.0=he774522_0
- prompt-toolkit=3.0.5=py_0
- py-boost=1.67.0=py37h8300f20_4
- pyasn1=0.4.8=py_0
- pycparser=2.20=py_2
- pygments=2.6.1=py_0
- pyjwt=1.7.1=py37_0
- pyopenssl=20.0.1=pyhd3eb1b0_1
- pyreadline=2.1=py37_1
- pysocks=1.7.1=py37_1
- python=3.7.7=h81c818b_4
- python-dateutil=2.8.1=py_0
- pytorch=1.6.0=py3.7_cuda102_cudnn7_0
- pytz=2020.1=py_0
- rdkit=2020.03.2.0=py37h3d1ada6_1
- requests-oauthlib=1.3.0=py_0
- rsa=4.6=py_0
- setuptools=49.2.0=py37_0
- six=1.15.0=py_0
- sqlite=3.32.3=h2a8f88b_0
- tk=8.6.10=he774522_0
- torchvision=0.7.0=py37_cu102
- traitlets=4.3.3=py37_0
- typing-extensions=3.7.4.3=0
- typing_extensions=3.7.4.3=py_0
- vc=14.1=h0510ff6_4
- vs2015_runtime=14.16.27012=hf0eaf9b_3
- wcwidth=0.2.5=py_0
- werkzeug=1.0.1=py_0
- win_inet_pton=1.1.0=py37haa95532_0
- wincertstore=0.2=py37_0
- xz=5.2.5=h62dcd97_0
- yarl=1.5.1=py37he774522_0
- zlib=1.2.11=h62dcd97_4
- zstd=1.4.5=h04227a9_0
- pip:
- absl-py==0.9.0
- astor==0.8.1
- cachetools==4.1.1
- cycler==0.10.0
- cython==0.29.21
- gast==0.4.0
- google-auth==1.20.1
- google-auth-oauthlib==0.4.1
- google-pasta==0.2.0
- importlib-metadata==1.7.0
- joblib==0.16.0
- keras==2.0.7
- keras-applications==1.0.8
- keras-preprocessing==1.1.2
- kiwisolver==1.2.0
- llvmlite==0.35.0
- markdown==3.2.2
- matplotlib==3.3.0
- mock==4.0.3
- numba==0.52.0
- numpy==1.19.3
- protobuf==3.12.4
- pyasn1-modules==0.2.8
- pyparsing==2.4.7
- pyyaml==5.3.1
- requests==2.24.0
- scikit-learn==0.23.1
- scipy==1.5.2
- sklearn==0.0
- tensorboard==1.14.0
- tensorboard-plugin-wit==1.7.0
- tensorboardx==2.1
- tensorflow-estimator==1.14.0
- termcolor==1.1.0
- theano==1.0.5
- threadpoolctl==2.1.0
- tqdm==4.48.0
- tslearn==0.4.1
- urllib3==1.25.10
- wheel==0.36.2
- xlrd==1.2.0
- zipp==3.1.0
prefix: C:\Users\zhang\anaconda3\envs\chemprop