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requirements.txt
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requirements.txt
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aiohttp==3.8.1
aiosignal==1.2.0
appdirs==1.4.4
async-timeout==4.0.2
attrs==22.1.0
black==22.8.0
certifi==2022.6.15.1
cfgv==3.3.1
charset-normalizer==2.1.1
click==8.1.3
cycler==0.11.0
datamol==0.7.13
deepchem==2.6.1
distlib==0.3.6
filelock==3.8.0
flake8==5.0.4
fonttools==4.37.1
frozenlist==1.3.1
fsspec==2022.8.2
h5py==3.7.0
identify==2.5.5
idna==3.3
isort==5.10.1
joblib==1.1.0
kiwisolver==1.4.4
loguru==0.6.0
matplotlib==3.5.3
mccabe==0.7.0
multidict==6.0.2
mypy-extensions==0.4.3
nodeenv==1.7.0
numpy==1.23.3
-e git+https://github.com/OpenBioML/datasets.git@a12ad2dbe9d90c566d8e9b19822d0990fe22aac6#egg=openbioml_datasets
packaging==21.3
pandas==1.4.4
pathspec==0.10.1
Pillow==9.2.0
platformdirs==2.5.2
pre-commit==2.20.0
pycodestyle==2.9.1
pyflakes==2.5.0
pyparsing==3.0.9
python-dateutil==2.8.2
pytz==2022.2.1
PyYAML==6.0
rdkit==2022.3.5
rdkit-pypi==2022.3.5
requests==2.28.1
scikit-learn==1.1.2
scipy==1.9.1
SDF==0.3.5
selfies==2.1.1
six==1.16.0
threadpoolctl==3.1.0
toml==0.10.2
tomli==2.0.1
tqdm==4.64.1
typing_extensions==4.3.0
urllib3==1.26.12
virtualenv==20.16.5
yarl==1.8.1