mlawrenz/DistributeCharge
Public repository.
Public GitHub Catalog
Discovered Oct 5, 2026
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.
About this discovery
This repository is cataloged as part of our automated global GitHub synchronization. Full telemetry, velocity snapshots, and code summaries are scheduled for continuous enrichment.
#29029642GitHub System ID
mlawrenzOrganization / User
PublicVisibility
ActiveCatalog Status
More from mlawrenz
mlawrenz/msmbuilder
Extensible software for building Markov State Models for Biomolecular Conformational Dynamics
mlawrenz/clusterLP-MPI
Cluster a protein-ligand system with RMSD using separate sets of atoms for the alignment and distance computation.
mlawrenz/cluster-tanimotos
K-Centers clustering on tanimoto scores for overlap of ligands (or anything else)