16 dependents
| Package | Description | Downloads/month |
|---|---|---|
| GPU-accelerated virtual screening CLI — powered by Kaggle GPUs | 5K | |
| Python toolkit for the analysis of protein protonation states and residue-level ... | 993 | |
| Predict per-residue Fdewet using SASA + MPNN | 959 | |
| Personal protein processing tool collections | 868 | |
| Lightweight antibody structure prediction tool (arXiv:2507.09054) | 665 | |
| Compute possible interaction between molecules. | 633 | |
| High-Throughput Cross-Docking (NxM) — cross-dock massive ligand libraries agains... | 263 | |
| Tokenizing Loops of Antibodies (arXiv:2509.08707) | 186 | |
| Helper functions for antibody design. | 152 | |
| A Python package for preparing proteins and ligands for molecular docking | 126 | |
| Calculates single residue frustration, and mutational frustration of proteins. | 120 | |
| Molecular docking module for bio-analyze. | 108 | |
| Simple program to prepare PDb files using combination of PDBFixer, RDkit and Ope... | 108 | |
| OpenMM Setup: User interface for preparing and running OpenMM simulations | 97 | |
| CLI tools for quick protein structure cleanup and optimization with OpenMM. | 80 | |
| Add your description here | 45 |
