23 dependents
| Package | Description | Downloads/month |
|---|---|---|
| gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state ... | 5K | |
| Scripts for MD Analysis | 2K | |
| HTMD: Programming Environment for Molecular Discovery | 2K | |
| PaCS-Q is a Python toolkit designed to assist with Parallel Cascade Selection si... | 1K | |
| A package for conformer generation of transition-metal-containing complexes | 1K | |
| General purpose simulation builder for protein condenstate systems compatible wi... | 1K | |
| mlmm - ML/MM toolkit for enzyme reaction analysis | 1K | |
| binding free energy estimator 2 | 1K | |
| MD trajectory library | 649 | |
| Analysis and visualization of molecular structures and 3D microscopy | 569 | |
| Python workflow to run Free Energy calculations | 526 | |
| RiD package for enhanced sampling | 467 | |
| 442 | ||
| Some useful tools related to Amber and DP. | 411 | |
| Development of High-Throughput Polymer Network Atomistic Simulation | 394 | |
| A ligand parameterization package for Amber | 334 | |
| Lightweight pdb4amber derivative without Amber binary dependencies | 319 | |
| A Python platform for Structural Bioinformatics | 290 | |
| Forcefield evaluation in python using numba | 224 | |
| DIMOS: DIfferentiable MOlecular Simulator | 224 | |
| Converters into RISM molecule format .rtxt | 158 | |
| Biomolecular_Environment_Mimicking_Model_(BEMM)_Geneletaor | 136 | |
| Biomolecular_Environment_Mimicking_Model_(BEMM)_Geneletaor | 118 |
