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Bindwell / PLAPT

Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery

Mathematica 114 15 Updated Mar 27, 2025

Gallicchio-Lab / analytical-model-transfer

Analytical model of coupling with corresponding data and optimized parameters to construct analytical model of transfer.

Mathematica 1 Updated Oct 10, 2024