Projects in Awesome Lists tagged with charmm
A curated list of projects in awesome lists tagged with charmm .
https://github.com/alanwilter/acpype
OFFICIAL: AnteChamber PYthon Parser interfacE
ambermd ambertools charmm cns gromacs python3 topologies xplor
Last synced: 15 May 2025
https://github.com/pritampanda15/molecular-dynamics
Self explained tutorial for molecular dynamics simulation using gromacs
charmm complex dynamics freeenergy hpc hpc-clusters lipidbilayer molecular molecular-dynamics molecular-dynamics-simulation molecular-mechanics molecular-simulation pca proteinligand simulation
Last synced: 15 Apr 2025
https://github.com/stephanmg/topo-ff
Parametrize a LAMMPS data file with a CHARMM force field
Last synced: 30 Mar 2025
https://github.com/pierre-24/just-psf
Just get me a topology, for god’s sake!
charmm psf trajectory-analysis
Last synced: 18 Oct 2025
https://github.com/giatraskon/pten-moleculardynamics-drugdesign
Comprehensive molecular dynamics simulations and drug design analysis for PTEN protein: workflows include protein dynamics, binding site detection, ligand screening, and filtering for therapeutic discovery.
bioinformatics cadd charmm chembioserver clustering computer-aided-drug-design docking drug-design glide maestro mds molecular-dynamics-simulation namd2 pten qikprop sitemap structural-biology trajectory-analysis virtual-screening vmd
Last synced: 31 Mar 2025
