pytorch-lightning==1.8.0
torchmetrics==0.9.0
sacred>=0.8.2
numpy>=1.22.4
sklearn>=0.0
scikit-learn>=1.1.1
tqdm>=4.64.0
timm>=0.5.4
transformers>=4.20.1
SmilesPE>=0.0.3
rdkit
wget

[docs]
sphinx
livereload
myst-parser
