| Name | Version | Summary | date |
| imdclient |
0.1.4 |
Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD |
2024-12-13 16:38:17 |
| lipyds |
0.0.1 |
A toolkit for leaflet-based membrane analysis |
2024-11-29 11:08:05 |
| basicrta |
0.2.2 |
A package to extract binding kinetics from molecular dynamics simulations |
2024-11-16 15:57:50 |
| helanal |
0.1.0 |
A package to characterise the geometry of protein helicies. |
2024-11-06 12:42:24 |
| zarrtraj |
0.3.0 |
This is a kit that provides the ability to read and write trajectory data in the Zarr file format |
2024-11-06 04:43:54 |
| 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 |
| pygamd |
1.4.6 |
Python GPU-Accelerated Molecular Dynamics Software |
2024-04-17 12:53:34 |
| 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 |
| mdaencore |
1.0.0 |
Ensemble overlap comparison software for molecular data. |
2023-11-09 23:15:01 |
| openmm-mdanalysis-reporter |
0.1 |
MDAnalysis based reporter for OpenMM |
2023-05-25 21:24:16 |
| pdb2pqr |
3.6.1 |
Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation. |
2023-03-12 21:05:49 |