Name | Version | Summary | date |
---|---|---|---|
mdbrew | 0.0.4 | Postprocessing tools for the Molecular Dynamics simulation | 2025-01-14 10:43:52 |
gmx-MMPBSA | 1.6.4 | gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files | 2024-11-04 14:08:34 |
alchemlyb | 2.4.1 | the simple alchemistry library | 2024-09-19 18:16:42 |
GromacsWrapper | 0.9.1 | A Python wrapper around the GROMACS tools. | 2024-09-19 01:46:03 |
FE-workflow | 0.0.2 | Free Energy workflow | 2024-08-20 21:53:31 |
gmxpy | 0.0.5 | Wrapping GROMACS by Python for me | 2024-05-11 09:06:34 |
hour | day | week | total |
---|---|---|---|
31 | 1472 | 6847 | 284001 |