PyDigger - unearthing stuff about Python


NameVersionSummarydate
forcefield-step 2025.7.22 A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. 2025-07-22 17:54:35
lammps-step 2025.4.9 A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code. 2025-04-09 14:43:49
mopac-step 2025.2.23 A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC 2025-02-24 19:06:08
cgen2gmx 1.1.0 A small commandline tool for managing forcefield parameters used in molecular dynamics simulations 2024-08-25 19:17:10
pymbar 4.0.3 Python implementation of the multistate Bennett acceptance ratio (MBAR) method 2024-03-21 17:25:58
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