| Name | Version | Summary | date |
| ivybloom |
0.2.0 |
Command-line interface for computational biology and drug discovery |
2025-08-13 05:20:57 |
| biochemical-data-connectors |
3.2.2 |
A Python package to extract chemical, biochemical, and bioactivity data from public databases like ORD, ChEMBL and PubChem. |
2025-08-05 00:28:55 |
| chemprop |
2.2.1 |
Molecular Property Prediction with Message Passing Neural Networks |
2025-08-01 16:25:18 |
| pandadock |
2.6.0 |
Next-Generation Molecular Docking with Novel PandaDock Algorithms |
2025-07-28 23:20:53 |
| farscore |
1.0.0 |
FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegressive pretrain |
2025-07-24 09:40:37 |
| 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 |
| 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 |