28 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Python interface for VASP | 100K | |
| Combines dataArrays with attributes for fitting plotting and analysis including ... | 10K | |
| Reusable widgets for AiiDAlab applications | 5K | |
| Generative Toolkit for Scientific Discovery (GT4SD). | 3K | |
| All-in-one protein-ligand docking package for Windows with bundled tools | 2K | |
| Yet another Ab Initio Visualizer... | 2K | |
| Import structures in jupyter notebook using OPTIMADE | 2K | |
| A research-focused modular generative modeling library built on JAX/Flax NNX | 1K | |
| Analysis of alphafold and colabfold results | 1K | |
| Chemistry with the ReInvented Macromolecular Mechanics | 880 | |
| PoreAnalyser package based on HOLE and MDAnalysis | 695 | |
| A Python implementation for Dynamical Network Analysis. | 591 | |
| Best practices made easy for analysis of correlated motions from molecular dynam... | 517 | |
| ironflow - A visual scripting interface for pyiron. | 406 | |
| Routines to visualize atomic models in jupyter | 371 | |
| MD signal transduction calculation | 356 | |
| Welcome to MatGraphDB, a powerful Python package designed to interface with prim... | 296 | |
| This project is intended for infering and mapping interface hotspots based on re... | 278 | |
| Tool for finding atomic environments in crystal structures | 211 | |
| PoreFinding package based on HOLE and MDAnalysis | 192 | |
| Python toolkit for generation and equilibration of complex soft matter systems | 191 | |
| A Python library that represents different entities in a cell | 169 | |
| Simulates APT trajectories based on Robin Rolland charge equilibration model | 145 | |
| MMLWC (machine learning Wannier center) | 129 | |
| nglview wrapper for crystal structure | 112 | |
| PoreFinding package based on HOLE and MDAnalysis | 107 | |
| Crystal structure engine for VASP POSCAR files | 97 | |
| A Python implementatino of the SCA method | 83 |
