polizzilab

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1. LASErMPNN LASErMPNN Public

   All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN

   Python 77 10

2. NISE NISE Public

   Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x

   Jupyter Notebook 64 18

3. design_tools design_tools Public

   Jupyter Notebook 3 1

4. open_complex_emin open_complex_emin Public

   Protein-Ligand Complex Fixed Backbone Energy Minimization with OpenMM

   Python 2

5. bunsalyze bunsalyze Public

   Rigorously counts buried polar unsatisfied atoms in protein-ligand complex structures.

   Python 1 2

6. Voxelization-Tools Voxelization-Tools Public

   Python