loguru
openai
fire
fastcore
typing_extensions
scikit-learn
pyrate_limiter
pystow
pandas
selfies
rdkit

[docs]
sphinx
furo
sphinx-autodoc-typehints
sphinx_automodapi
sphinx_copybutton

[eval]
fcd
pubchempy
pycm
submitit
guacamol
strsimpy
diskcache

[experiments]
colorcet
SciencePlots
pycm
xgboost

[tests]
pytest
coverage
