| 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 |
| 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 |
| 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 |
| ullyses-utils |
3.1.0 |
ULLYSES utility files and scripts |
2023-12-13 18:06:30 |
| reflame |
1.0.1 |
Revolutionizing Functional Link Neural Network by Metaheuristic Algorithms: reflame - A Python Library |
2023-11-26 04:21:07 |
| metacluster |
1.2.0 |
MetaCluster: An Open-Source Python Library for Metaheuristic-based Clustering Problems |
2023-11-10 16:20:09 |
| mdaencore |
1.0.0 |
Ensemble overlap comparison software for molecular data. |
2023-11-09 23:15:01 |
| mealpy |
3.0.1 |
MEALPY: An Open-source Library for Latest Meta-heuristic Algorithms in Python |
2023-11-05 09:33:17 |
| vice |
1.3.1 |
Galactic Chemical Evolution Integrator |
2023-10-25 22:40:32 |
| Corrfunc |
2.5.2 |
Blazing fast correlation functions on the CPU |
2023-10-03 23:28:43 |
| aasm |
0.1.9 |
Agents Assembly translator |
2023-09-05 15:58:09 |