Pinned

1. pKa-ANI pKa-ANI Public

   Accurate prediction of protein pKa with representation learning

   Python 37 9

2. Auto3D_pkg Auto3D_pkg Public

   Auto3D generates low-energy conformers from SMILES/SDF

   Python 126 29

3. amide_reaction_data amide_reaction_data Public

   Python 3 1

4. AIMNet2 AIMNet2 Public

   Python 48 14