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environment.yml
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environment.yml
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name: MolGAN
channels:
- rdkit
- conda-forge
- defaults
dependencies:
- absl-py=0.9.0=py36_0
- appnope=0.1.0=py36h9f0ad1d_1001
- astor=0.7.1=py_0
- attrs=19.3.0=py_0
- backcall=0.1.0=py_0
- blas=1.0=mkl
- bleach=1.5.0=py36_0
- brotlipy=0.7.0=py36h37b9a7d_1000
- bzip2=1.0.8=h1de35cc_0
- c-ares=1.15.0=h01d97ff_1001
- ca-certificates=2020.4.5.1=hecc5488_0
- cairo=1.14.12=hc4e6be7_4
- certifi=2020.4.5.1=py36h9f0ad1d_0
- cffi=1.11.5=py36_0
- chardet=3.0.4=py36h9f0ad1d_1006
- cryptography=2.9.2=py36hc9d8292_0
- decorator=4.4.2=py_0
- defusedxml=0.6.0=py_0
- entrypoints=0.3=py36h9f0ad1d_1001
- fontconfig=2.13.0=h5d5b041_1
- freetype=2.9.1=hb4e5f40_0
- gast=0.3.3=py_0
- gettext=0.19.8.1=hb0f4f8b_2
- glib=2.63.1=h70d4741_1
- grpcio=1.23.0=py36h7c1f37e_1
- html5lib=0.9999999=py36_0
- icu=58.2=h0a44026_3
- idna=2.9=py_1
- importlib-metadata=1.6.0=py36h9f0ad1d_0
- importlib_metadata=1.6.0=0
- intel-openmp=2019.4=233
- ipykernel=5.3.0=py36h95af2a2_0
- ipython=7.14.0=py36h9f0ad1d_0
- ipython_genutils=0.2.0=py_1
- jedi=0.17.0=py36h9f0ad1d_0
- jinja2=2.11.2=pyh9f0ad1d_0
- joblib=0.15.1=py_0
- jpeg=9b=he5867d9_2
- json5=0.9.0=py_0
- jsonschema=3.2.0=py36h9f0ad1d_1
- jupyter_client=6.1.3=py_0
- jupyter_core=4.6.3=py36h9f0ad1d_1
- jupyterlab=2.1.2=py_0
- jupyterlab_server=1.1.4=py_0
- libboost=1.67.0=hebc422b_4
- libcxx=10.0.0=1
- libedit=3.1.20181209=hb402a30_0
- libffi=3.3=h0a44026_1
- libgfortran=3.0.1=h93005f0_2
- libiconv=1.16=h1de35cc_0
- libpng=1.6.37=ha441bb4_0
- libprotobuf=3.11.4=hd174df1_0
- libsodium=1.0.17=h01d97ff_0
- libtiff=4.1.0=hcb84e12_0
- libxml2=2.9.9=hf6e021a_1
- llvm-openmp=10.0.0=h28b9765_0
- markdown=3.2.2=py_0
- markupsafe=1.1.1=py36h37b9a7d_1
- mistune=0.8.4=py36h37b9a7d_1001
- mkl=2019.4=233
- mkl-service=2.3.0=py36hfbe908c_0
- mkl_fft=1.0.15=py36h5e564d8_0
- mkl_random=1.1.0=py36ha771720_0
- nbconvert=5.6.1=py36h9f0ad1d_1
- nbformat=5.0.6=py_0
- ncurses=6.2=h0a44026_1
- notebook=6.0.3=py36h9f0ad1d_0
- numpy=1.18.1=py36h7241aed_0
- numpy-base=1.18.1=py36h3304bdc_1
- olefile=0.46=py36_0
- openssl=1.1.1g=h0b31af3_0
- pandas=1.0.3=py36h6c726b0_0
- pandoc=2.9.2.1=0
- pandocfilters=1.4.2=py_1
- parso=0.7.0=pyh9f0ad1d_0
- pcre=8.43=h0a44026_0
- pexpect=4.8.0=py36h9f0ad1d_1
- pickleshare=0.7.5=py36h9f0ad1d_1001
- pillow=7.1.2=py36h4655f20_0
- pip=20.0.2=py36_3
- pixman=0.38.0=h1de35cc_0
- prometheus_client=0.7.1=py_0
- prompt-toolkit=3.0.5=py_0
- protobuf=3.11.4=py36h0130604_1
- ptyprocess=0.6.0=py_1001
- py-boost=1.67.0=py36h6440ff4_4
- pycparser=2.20=py_0
- pygments=2.6.1=py_0
- pyopenssl=19.1.0=py_1
- pyrsistent=0.16.0=py36h37b9a7d_0
- pysocks=1.7.1=py36h9f0ad1d_1
- python=3.6.10=hf48f09d_2
- python-dateutil=2.8.1=py_0
- python_abi=3.6=1_cp36m
- pytz=2020.1=py_0
- pyzmq=19.0.1=py36h820b253_0
- rdkit=2020.03.2.0=py36h65625ec_1
- readline=8.0=h1de35cc_0
- requests=2.23.0=pyh8c360ce_2
- scikit-learn=0.22.1=py36h27c97d8_0
- scipy=1.4.1=py36h9fa6033_0
- send2trash=1.5.0=py_0
- setuptools=46.4.0=py36_0
- six=1.14.0=py36_0
- sqlite=3.31.1=h5c1f38d_1
- tensorboard=1.8.0=py36_1
- tensorflow=1.8.0=py36_1
- termcolor=1.1.0=py_2
- terminado=0.8.3=py36h9f0ad1d_1
- testpath=0.4.4=py_0
- tk=8.6.8=ha441bb4_0
- tornado=6.0.4=py36h37b9a7d_1
- traitlets=4.3.3=py36h9f0ad1d_1
- urllib3=1.25.9=py_0
- wcwidth=0.1.9=pyh9f0ad1d_0
- webencodings=0.5.1=py_1
- werkzeug=1.0.1=pyh9f0ad1d_0
- wheel=0.34.2=py36_0
- xz=5.2.5=h1de35cc_0
- zeromq=4.3.2=h6de7cb9_2
- zipp=3.1.0=py_0
- zlib=1.2.11=h1de35cc_3
- zstd=1.3.7=h5bba6e5_0