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Dependencies
- biopython <2.0,>=1.79
- black <23.0.0,>=22.1.0
- deepchem <3.0.0,>=2.6.1
- invoke <2.0.0,>=1.6.0
- numpy ==1.21.0
- pandas ==1.1.5
- plotly <6.0.0,>=5.6.0
- py3dmol <2.0.0,>=1.8.0
- scipy ==1.6.1
- seaborn <0.12.0,>=0.11.2
- selfies <3.0.0,>=2.0.0
- sklearn <0.1,>=0.0
- sphinx <5.0.0,>=4.4.0
- torch <2.0.0,>=1.10.2
- tqdm <5.0.0,>=4.62.3
- typer <0.5.0,>=0.4.1
- umap-learn <0.6.0,>=0.5.2
- vina <2.0.0,>=1.2.3