| Name | Version | Summary | date |
| 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 |
| mopac-step |
2024.8.17 |
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC |
2024-08-17 21:19:24 |
| forcefield-step |
2024.6.30 |
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. |
2024-06-30 19:34:06 |
| pymbar |
4.0.3 |
Python implementation of the multistate Bennett acceptance ratio (MBAR) method |
2024-03-21 17:25:58 |