13 dependents
| Package | Description | Downloads/month |
|---|---|---|
| GPU-accelerated virtual screening CLI — powered by Kaggle GPUs | 5K | |
| Sandbox for Computational Protein Design | 2K | |
| ProDock | 1K | |
| moldrug (AKA mouse) is a Python package for drug-oriented optimization on the ch... | 975 | |
| Comprehensive benchmarking of protein-ligand structure prediction methods | 650 | |
| Flow Gym | 618 | |
| Efficient and accurate virtual screening via docking-guided binding prediction w... | 429 | |
| MUTADOCK is a comprehensive library designed for mutation studies and multiple r... | 400 | |
| High-Throughput Cross-Docking (NxM) — cross-dock massive ligand libraries agains... | 263 | |
| Diffusion Gym: Library for reward adaptation of any pre-trained diffusion or flo... | 190 | |
| Web-based MD simulation pipeline with AMBER, ESMFold, docking, and PLUMED | 188 | |
| Molecular docking module for bio-analyze. | 108 | |
| Comprehensive ensembling of protein-ligand structure and affinity prediction met... | 85 |
