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1. molecularmodelinglab/lfm molecularmodelinglab/lfm Public

   Ligand force matching

   Python 11 1

2. molecularmodelinglab/plantain molecularmodelinglab/plantain Public

   Fast and accurate molecular docking with an AI pose scoring function

   Python 42 3

3. molecularmodelinglab/banana molecularmodelinglab/banana Public

   BANANA (BAsic NeurAl Network for binding Affinity)

   Python 5 2

4. molecularmodelinglab/bigbind molecularmodelinglab/bigbind Public

   The BigBind protein-ligand binding dataset (and BayesBind benchmark)

   Python 20 2

5. terrace terrace Public

   Utilities for concise and maintainable PyTorch code

   Python 2

6. git-timewarp git-timewarp Public

   time travel to a previous git commit

   Python 3