| Name | Version | Summary | date |
| groverifier |
1.1.0 |
GROMACS GPU Compatibility Checker |
2025-07-22 04:59:59 |
| apax |
0.12.2 |
Atomistic Learned Potential Package in JAX |
2025-07-08 13:02:18 |
| aimmd |
0.9.1.dev2 |
aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dynamics simulations to effciently sampleand understand rare transition events. |
2025-02-06 15:55:17 |
| MDAnalysis |
2.8.0 |
An object-oriented toolkit to analyze molecular dynamics trajectories. |
2024-11-22 21:18:24 |
| solvation-analysis |
0.4.1 |
A toolkit to analyze solvation structure in molecular dynamics trajectories. |
2024-07-18 23:08:00 |
| mdacli |
0.1.32 |
A command line client for MDAnalysis Analysis classes. |
2024-07-09 11:50:30 |
| pbc-distance-calculator |
1.3.3 |
A package for computing distances accounting for periodic boundary conditions |
2024-06-03 01:46:58 |