Name | Version | Summary | date |
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 |