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environment.yml
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name: diversity_molgen
channels:
- defaults
dependencies:
- appdirs=1.4.4=pyhd3eb1b0_0
- blas=1.0=openblas
- brotlipy=0.7.0=py38h1a28f6b_1002
- ca-certificates=2023.05.30=hca03da5_0
- certifi=2023.7.22=py38hca03da5_0
- cffi=1.15.1=py38h80987f9_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- cryptography=41.0.2=py38h6204c90_0
- idna=3.4=py38hca03da5_0
- joblib=1.2.0=py38hca03da5_0
- libcxx=14.0.6=h848a8c0_0
- libffi=3.4.4=hca03da5_0
- libgfortran=5.0.0=11_3_0_hca03da5_28
- libgfortran5=11.3.0=h009349e_28
- libopenblas=0.3.21=h269037a_0
- llvm-openmp=14.0.6=hc6e5704_0
- ncurses=6.4=h313beb8_0
- numpy-base=1.24.3=py38h90707a3_0
- openssl=3.0.9=h1a28f6b_0
- pip=23.2.1=py38hca03da5_0
- pooch=1.4.0=pyhd3eb1b0_0
- pycparser=2.21=pyhd3eb1b0_0
- pyopenssl=23.2.0=py38hca03da5_0
- pysocks=1.7.1=py38hca03da5_0
- python=3.8.17=hb885b13_0
- readline=8.2=h1a28f6b_0
- requests=2.29.0=py38hca03da5_0
- scikit-learn=1.2.2=py38h313beb8_1
- scipy=1.10.1=py38h9d039d2_1
- setuptools=68.0.0=py38hca03da5_0
- sqlite=3.41.2=h80987f9_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=hb8d0fd4_0
- urllib3=1.26.16=py38hca03da5_0
- wheel=0.38.4=py38hca03da5_0
- xz=5.4.2=h80987f9_0
- zlib=1.2.13=h5a0b063_0
- pip:
- absl-py==1.4.0
- astunparse==1.6.3
- cachetools==5.3.1
- contourpy==1.1.0
- cycler==0.11.0
- fcd==1.1
- filelock==3.12.2
- flatbuffers==23.5.26
- fonttools==4.41.1
- gast==0.4.0
- google-auth==2.22.0
- google-auth-oauthlib==1.0.0
- google-pasta==0.2.0
- grpcio==1.56.2
- guacamol==0.5.2
- h5py==3.9.0
- importlib-metadata==6.8.0
- importlib-resources==6.0.0
- jinja2==3.1.2
- keras==2.13.1
- kiwisolver==1.4.4
- levenshtein==0.21.1
- libclang==16.0.6
- markdown==3.4.4
- markupsafe==2.1.3
- matplotlib==3.7.2
- mpmath==1.3.0
- networkx==3.1
- nltk==3.4.5
- numpy==1.24.4
- oauthlib==3.2.2
- opt-einsum==3.3.0
- packaging==23.1
- pandas==2.0.3
- pillow==10.0.0
- protobuf==4.23.4
- pyasn1==0.5.0
- pyasn1-modules==0.3.0
- pyparsing==3.0.9
- python-dateutil==2.8.2
- pytz==2023.3
- rapidfuzz==3.1.2
- rdkit==2023.3.2
- requests-oauthlib==1.3.1
- rsa==4.9
- six==1.16.0
- sklearn==0.0.post7
- sympy==1.12
- tensorboard==2.13.0
- tensorboard-data-server==0.7.1
- tensorflow==2.13.0
- tensorflow-estimator==2.13.0
- tensorflow-macos==2.13.0
- termcolor==2.3.0
- torch==2.0.1
- tqdm==4.45.0
- typing-extensions==4.5.0
- tzdata==2023.3
- werkzeug==2.3.6
- wrapt==1.15.0
- zipp==3.16.2
prefix: /Users/m.langevin/miniconda3/envs/diversity_molgen