PyDigger - unearthing stuff about Python


NameVersionSummarydate
forcefield-step 2024.12.14 A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. 2024-12-15 00:31:24
mopac-step 2024.12.9 A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC 2024-12-09 19:32:55
cgen2gmx 1.1.0 A small commandline tool for managing forcefield parameters used in molecular dynamics simulations 2024-08-25 19:17:10
lammps-step 2024.8.22 A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code. 2024-08-22 14:42:54
pymbar 4.0.3 Python implementation of the multistate Bennett acceptance ratio (MBAR) method 2024-03-21 17:25:58
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