| Name | Version | Summary | date |
| imdclient |
0.2.2 |
Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD |
2025-07-21 01:57:37 |
| mvs-story-generator |
0.0.1 |
A Python library for generating MolViewSpec JSON (MVSJ) files for molecular visualizations |
2025-07-20 15:22:56 |
| basicrta |
1.1.1 |
A package to extract binding kinetics from molecular dynamics simulations |
2025-07-19 00:09:49 |
| pygamd |
1.4.8 |
Python GPU-Accelerated Molecular Dynamics Software |
2025-07-16 02:33:06 |
| zarrtraj |
0.3.2 |
This is a kit that provides the ability to read and write trajectory data in the Zarr file format |
2025-07-14 01:28:29 |
| mdpow-molconfgen |
0.3.0a1 |
Generation of conformers of small molecules. |
2025-07-11 00:46:49 |
| BoostMut |
1.0.0 |
a python package to analyze short molecular dynamics simulations for the effect of point mutations on stability |
2025-02-03 12:57:47 |
| lipyds |
0.0.1 |
A toolkit for leaflet-based membrane analysis |
2024-11-29 11:08:05 |
| helanal |
0.1.0 |
A package to characterise the geometry of protein helicies. |
2024-11-06 12:42:24 |
| domhmm |
1.1.0 |
HMM model to determine Lo or Ld domains from coarse grained or atomistic MD simulations. |
2024-10-24 08:36:54 |
| propkatraj |
2.0.1 |
Obtain pKas for titreatable residues from a simulation trajectory. |
2024-10-13 09:56:22 |
| mdakit-sasa |
0.2.7 |
This kit allows the calculation of a solvent-accessible-surface area of a trajectory |
2024-09-24 22:25:38 |
| martiniglass |
0.0.1.dev72 |
None |
2024-09-12 09:24:47 |
| transport-analysis |
0.1.2 |
A Python package to compute and analyze transport properties. |
2024-08-18 17:56:35 |
| mdonatello |
0.0.1 |
2D small molecule visualization for MDAnalysis |
2024-08-13 01:27:11 |
| pytim |
1.0.1 |
Python Tool for Interfacial Molecules Analysis |
2024-08-07 11:49:08 |
| locuaz |
0.7.5.4 |
Antibody optimization protocol |
2024-07-08 16:11:33 |
| polyply |
1.7.0 |
None |
2024-04-27 10:36:22 |
| freud-analysis |
3.0.0 |
Powerful, efficient trajectory analysis in scientific Python. |
2024-02-23 14:27:48 |
| PDAnalysis |
0.0.4 |
Software for analysing deformation between protein structures. |
2023-11-20 13:02:18 |