| Name | Version | Summary | date |
| mgktools |
3.1.0 |
Marginalized Graph Kernel Library for Molecular Property Prediction |
2025-01-14 17:54:28 |
| ringtail |
2.1.1 |
Package for creating database from virtual screening files and performing filtering on results. |
2024-12-12 18:13:35 |
| chemprop |
2.1.0 |
Molecular Property Prediction with Message Passing Neural Networks |
2024-10-23 19:58:46 |
| MDRMF |
0.0.12 |
Multidrug Resistance Machine Fishing |
2024-08-29 20:27:49 |
| qsarKit |
0.0.1 |
A Python package that offers robust predictive modeling using QSAR for evaluating the transfer of environmental contaminants in breast milk. It integrates multiple predictive models, provides synthetic data generation via GANs, and is tailored for researchers and health professionals. |
2024-05-08 15:53:39 |