| Name | Version | Summary | date |
| coarsify |
1.0.3 |
A Python tool for coarse-graining molecular structures |
2025-07-23 21:14:02 |
| mdscribe |
0.7.4 |
A Toolset For Molecular Dynamics |
2025-07-23 14:30:48 |
| mdkits |
1.0.2 |
kits for md or dft |
2025-07-16 06:54:59 |
| mdtool |
0.1.10 |
tools for md or dft |
2025-04-18 07:01:39 |
| MDANSE-GUI |
0.1.0b2 |
MDANSE GUI package - the graphical interface for MDANSE |
2024-10-21 15:51:47 |
| MDANSE |
2.0.0b1 |
MDANSE Core package - Molecular Dynamics trajectory handling and analysis code |
2024-10-15 15:13:59 |
| ChemTraYzer |
3.0.0b3 |
Reaction models from molecular dynamics simulations. |
2024-09-19 14:40:53 |
| cgen2gmx |
1.1.0 |
A small commandline tool for managing forcefield parameters used in molecular dynamics simulations |
2024-08-25 19:17:10 |
| lindemann |
0.10.0 |
lindemann is a python package to calculate the Lindemann index of a lammps trajectory as well as the progression of the Lindemann index per frame of temperature ramps for phase transition analysis. |
2024-06-11 22:43:32 |
| EasyMDA |
0.3.4 |
Easy MD Analysis (EMDA) is a Python package created with the aim of providing an easy, yet powerful way to perform analysis of MD simulations. |
2024-02-26 19:13:48 |
| pmd |
1.5.2 |
Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations |
2024-02-22 14:15:04 |
| dompap |
0.0.5 |
Simulations of point-like particles in any dimension with any pair potential |
2024-02-05 14:50:32 |
| adaptive-sampling |
3.0.1 |
Sampling algorithms for molecular transitions |
2024-02-01 11:51:37 |
| MBN-tools |
0.1 |
Useful tools for MBN Explorer simulations and analysis |
2024-01-22 18:46:17 |
| gamda |
0.5 |
gamda: GPU-Accelerated Molecular Dynamics Analysis |
2024-01-14 18:02:00 |
| prips |
1.4 |
PRIPS: Python Runtime Interface Plugin of SPONGE |
2023-12-31 08:48:22 |
| radonpy-pypi |
0.2.9 |
RadonPy is a Python library to automate physical property calculations for polymer informatics. |
2023-12-26 16:59:04 |
| lipyphilic |
0.11.0 |
Analyse MD simulations of lipids with python' |
2023-11-30 10:25:35 |
| NewtonNet |
1.1.1 |
A Newtonian message passing network for deep learning of interatomic potentials and forces |
2023-11-12 20:38:40 |
| fretraj |
0.2.10 |
Predicting FRET with accessible-contact volumes |
2023-10-22 18:31:10 |