| Name | Version | Summary | date |
| cando-py |
2.3.4 |
CANDO is a unique computational drug discovery, design, and repurposing platform. |
2025-07-25 20:42:01 |
| ChemSpaceAL |
2.0.1 |
ChemSpaceAL Python package: an efficient active learning methodology applied to protein-specific molecular generation |
2024-02-24 04:04:03 |
| pySAR |
2.4.3 |
A Python package used to analysis Sequence Activity Relationships (SARs) of protein sequences and their mutants using Machine Learning. |
2023-11-23 17:16:04 |
| chemml |
1.3 |
A Machine Learning and Informatics Program Suite for the Chemical and Materials Sciences |
2023-10-08 16:08:31 |
| dimorphite-ojmb |
1.2.5.post1 |
An open-source program for enumerating the ionization states of drug-like small molecules |
2023-09-10 16:43:15 |
| aidd-codebase |
0.2.0 |
High-level codebase for deep learning development in drug discovery. |
2022-11-03 15:14:54 |