| Name | Version | Summary | date |
| 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 |
| MolBokeh |
1.0.1 |
Simple package to display molecules images in bokeh interactive charts. |
2024-02-15 14:42:42 |
| keyword-search |
0.0.2 |
A keyword search for CSV/Excel/Pandas |
2024-02-08 21:06:49 |
| SpectraFP |
1.2.3 |
A package to perform fingerprints from spectroscopy datas. |
2024-02-01 23:30:07 |
| pyADAqsar |
1.1.1 |
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation. |
2024-01-17 13:20:12 |
| CDK-pywrapper |
0.1.0 |
Python wrapper for CDK molecular descriptors and fingerprints |
2024-01-15 21:13:43 |
| qsarify |
0.1.1 |
QSARify: A tool for QSAR model development |
2023-10-25 11:44:26 |
| lazyqsar |
0.3 |
A library to quickly build QSAR models |
2023-09-25 12:02:22 |
| jcompoundmapper-pywrapper |
0.0.2 |
Python wrapper for jCompoundMapper molecular fingerprints |
2023-08-23 12:52:15 |
| Mold2-pywrapper |
0.0.4 |
Python wrapper for Mold2 descriptors |
2023-08-09 06:22:18 |
| tacape |
0.0.6 |
TACaPe: Transformed-based Anti-Cancer Peptide Classification and Generation |
2023-07-28 18:19:09 |
| PaDEL-pywrapper |
1.0.4 |
Python wrapper for the PaDEL descriptors |
2023-07-04 17:52:42 |
| Signature-pywrapper |
0.0.2.post1 |
Python wrapper for signature molecular descriptors |
2023-07-04 17:38:45 |
| BlueDesc |
2008.10.3 |
BlueDesc - Molecular Descriptor Calculator |
2023-06-26 21:01:59 |
| papyrus-scripts |
1.0.2 |
A collection of scripts to handle the Papyrus bioactivity dataset |
2023-05-16 10:09:52 |
| peptides |
0.3.2 |
Physicochemical properties, indices and descriptors for amino-acid sequences. |
2023-04-12 18:38:18 |
| prodec |
1.0.2.post5 |
A package to calculate protein sequence descriptors |
2023-01-16 00:36:00 |
| mordred |
1.2.0 |
molecular descriptor calculator |
2019-06-05 18:20:01 |