mlawrenz/DoVCD
Extract energies, free energies, and theoretical spectroscopic properties from Gaussian log files.
Public GitHub Catalog
Discovered Sep 27, 2026
mlawrenz / pseudodihedral
example code to compute pseudo dihedrals for groups of atoms in a simulation
About this discovery
Public repository record indexed from GitHub. Explore verified star velocity metrics, source code repositories, and curated developer tool directories across the GitHubRepo ecosystem.
#10233196GitHub System ID
mlawrenzOrganization / User
PublicVisibility
ActiveCatalog Status
More from mlawrenz
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.
mlawrenz/DistributeCharge
Public repository.
mlawrenz/msmbuilder
Extensible software for building Markov State Models for Biomolecular Conformational Dynamics