| Name | Version | Summary | date |
| gmx-MMPBSA |
1.6.3 |
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files |
2024-02-20 02:12:38 |
| aiida-gromacs |
2.0.7 |
A plugin for using GROMACS with AiiDA for molecular dymanics simulations. |
2024-01-23 11:59:31 |
| mdbrew |
2.5.4 |
Postprocessing tools for the Molecular Dynamics simulation |
2024-01-15 14:13:49 |
| MDbrew |
2.4.1 |
Postprocessing tools for the MD simulation results (ex. lammps) |
2023-11-06 12:36:20 |
| gmxpy |
0.0.4 |
Wrapping GROMACS by Python for me |
2023-10-27 16:01:30 |
| acpype |
2023.10.27 |
ACPYPE - AnteChamber PYthon Parser interfacE |
2023-10-27 07:52:43 |
| GromacsWrapper |
0.8.5 |
A Python wrapper around the Gromacs tools. |
2023-09-16 19:15:09 |
| cleanup-sims |
0.0.1 |
Cleans up your messy Gromacs simulations |
2023-02-07 08:24:37 |
| logdensity |
0.1.dev0 |
take the logarithm of a cryo-EM density |
2022-12-02 14:08:55 |
| rigidbodyfit |
1.1 |
Align biomolecular structures with densities |
2022-05-09 17:56:42 |