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environment.yml
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environment.yml
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name: DeepPurpose
channels:
- rdkit
- pytorch
- rmg
- conda-forge
- defaults
dependencies:
- attrs=19.3.0
- backcall=0.1.0
- blas=1.0
- bleach=3.1.0
- botorch=0.2.2
- bzip2=1.0.8
- ca-certificates=2020.1.1
- cairo=1.14.12
- certifi=2019.11.28
- cffi=1.14.0
- cycler=0.10.0
- decorator=4.4.2
- defusedxml=0.6.0
- descriptastorus=2.2.0
- entrypoints=0.3
- fontconfig=2.13.0
- freetype=2.9.1
- gettext=0.19.8.1
- gpytorch=1.1.1
- icu=58.2
- importlib-metadata=1.5.0
- intel-openmp=2019.4
- ipykernel=5.1.4
- ipython=7.13.0
- ipython_genutils=0.2.0
- jedi=0.16.0
- jinja2=2.11.1
- joblib=0.14.1
- jpeg=9b
- jsonschema=3.2.0
- jupyter_client=6.1.2
- jupyter_core=4.6.3
- kiwisolver=1.1.0
- libblas=3.8.0
- libboost=1.67.0
- libcblas=3.8.0
- libffi=3.2.1
- libiconv=1.15
- liblapack=3.8.0
- libpng=1.6.37
- libsodium=1.0.16
- libtiff=4.1.0
- libxml2=2.9.9
- llvm-openmp=9.0.1
- lz4=3.0.2
- lz4-c=1.8.3
- markupsafe=1.1.1
- matplotlib=3.1.3
- matplotlib-base=3.1.3
- mistune=0.8.4
- mkl=2019.4
- mkl-service=2.3.0
- mkl_fft=1.0.15
- mkl_random=1.1.0
- nbconvert=5.6.1
- nbformat=5.0.4
- ninja=1.9.0
- notebook=6.0.3
- numpy=1.18.1
- numpy-base=1.18.1
- olefile=0.46
- openssl=1.1.1f
- pandas=1.0.3
- pandoc=2.2.3.2=0
- pandocfilters=1.4.2
- parso=0.6.2
- pcre=8.43
- pexpect=4.8.0
- pickleshare=0.7.5
- pillow=7.0.0
- pip=20.0.2
- pixman=0.38.0
- prometheus_client=0.7.1
- prompt-toolkit=3.0.4
- ptyprocess=0.6.0
- py-boost=1.67.0
- pycparser=2.20
- pygments=2.6.1
- pyparsing=2.4.6
- pyrsistent=0.16.0
- python=3.7.7
- python-dateutil=2.8.1
- python_abi=3.7
- pytorch=1.4.0
- pytz=2019.3
- pyzmq=18.1.1
- scikit-learn=0.22.1
- scikit-plot=0.3.7
- scipy=1.4.1
- seaborn=0.11.0
- send2trash=1.5.0
- setuptools=46.1.3
- six=1.14.0=py_1
- sqlite=3.31.1
- tensorboard=2.1.0
- terminado=0.8.3
- testpath=0.4.4
- tk=8.6.8
- torchvision=0.5.0
- tornado=6.0.4
- tqdm=4.44.1
- traitlets=4.3.3
- wcwidth=0.1.9
- webencodings=0.5.1
- wheel=0.34.2
- xz=5.2.4
- zeromq=4.3.1
- zipp=2.2.0
- zlib=1.2.11
- zstd=1.3.7
- pip:
- alabaster==0.7.12
- autograd==1.3
- autograd-gamma==0.4.2
- ax-platform==0.1.11
- babel==2.8.0
- chardet==3.0.4
- docutils==0.16
- future==0.18.2
- idna==2.9
- imagesize==1.2.0
- lifelines==0.24.3
- packaging==20.3
- prettytable==0.7.2
- requests==2.23.0
- snowballstemmer==2.0.0
- subword-nmt==0.3.7
- urllib3==1.25.8
- wget==3.2