| Name | Version | Summary | date |
| MDANSE-GUI |
0.1.0a2 |
MDANSE GUI package - the graphical interface for MDANSE |
2024-03-28 15:53:34 |
| MDANSE |
2.0.0a1 |
MDANSE Core package - Molecular Dynamics trajectory handling and analysis code |
2024-03-28 14:29:22 |
| 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 |
| maicos |
0.8 |
Analyse molecular dynamics simulations of interfacial and confined systems. |
2024-02-05 20:38:46 |
| 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 |
| mdahole2 |
0.4.0 |
A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway as a function of time or arbitrary order parameters. |
2024-01-30 11:30:41 |
| 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 |
| pathsimanalysis |
1.1.0 |
Calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff and Fréchet distances. |
2024-01-06 18:36:11 |
| 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 |
| mdigest |
0.1.8 |
Best practices made easy for analysis of correlated motions from molecular dynamics simulations. |
2023-11-08 00:54:44 |
| gmxpy |
0.0.4 |
Wrapping GROMACS by Python for me |
2023-10-27 16:01:30 |
| fretraj |
0.2.10 |
Predicting FRET with accessible-contact volumes |
2023-10-22 18:31:10 |
| WaterNetworkAnalysis |
0.3.0 |
Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis |
2023-10-21 00:29:57 |
| ConservedWaterSearch |
0.3.0 |
Conserved water search is a tool for finding conserved water molecules from MD trajectories. |
2023-10-20 05:48:22 |