mlawrenz/PythonMMGBSA
Program for running end point free energy calculations on protein-ligand complexes using AMBER and its associated MMPBSA.py program. Requires only a protein and ligand structure as input.
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Discovered Oct 7, 2026
mlawrenz / DoVCD
Extract energies, free energies, and theoretical spectroscopic properties from Gaussian log files.
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