| Name | Version | Summary | date |
| docktdeep |
0.1.1 |
A deep learning model for protein-ligand binding affinity prediction |
2025-10-17 17:55:00 |
| shepherd-score |
1.1.4 |
3D scoring functions used for evaluation of ShEPhERD |
2025-10-12 18:09:27 |
| mdsb |
0.0.1 |
MDSB — Molecular Dynamics Simulations of Biomolecules (placeholder pre-release). |
2025-10-11 12:26:46 |
| spymot |
2.1.4.dev0 |
Advanced Protein Motif Detection with AlphaFold Structural Validation |
2025-10-10 19:42:07 |
| ederiv2 |
0.1.4 |
A molecular graph generation and analysis toolkit using Graph Neural Networks |
2025-09-11 04:58:09 |
| deepmol |
1.1.18 |
DeepMol: a python-based machine and deep learning framework for drug discovery |
2025-09-08 16:29:32 |
| molecule-benchmarks |
0.1.13 |
A comprehensive benchmark suite for evaluating generative models for molecules |
2025-08-31 11:29:19 |
| molactivity |
3.0 |
Molecular activity prediction using transformer neural networks with 5 operational modes |
2025-07-08 10:37:02 |
| deepmol-models |
0.0.5 |
DeepMol Case Studies |
2025-01-23 19:58:43 |
| databuster |
0.2.2 |
A comprehensive chemical compound analysis platform for drug discovery research, developed by Suneel Kumar BVS, Ph.D., ATOMICAS AI SOLUTIONS PRIVATE LIMITED (https://theatomicas.io) |
2025-01-20 10:43:10 |
| deepchem |
2.8.0 |
Deep learning models for drug discovery, quantum chemistry, and the life sciences. |
2024-04-02 02:20:46 |