| Name | Version | Summary | date |
| molecule-benchmarks |
0.1.12 |
A comprehensive benchmark suite for evaluating generative models for molecules |
2025-07-08 15:49:38 |
| molactivity |
3.0 |
Molecular activity prediction using transformer neural networks with 5 operational modes |
2025-07-08 10:37:02 |
| deepmol |
1.1.12 |
DeepMol: a python-based machine and deep learning framework for drug discovery |
2025-03-20 15:06:52 |
| 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 |