| Name | Version | Summary | date |
| 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 |
| chemopy2 |
1.0.4 |
"A Python library calculating molecular descriptors." |
2023-11-17 08:14:55 |
| 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 |
| MoleculaPy |
1.0.1 |
A command-line application that utilizes the RDKit library to compute molecular descriptors and fingerprints, aiding in the analysis and characterization of chemical structures |
2023-09-01 20:58:42 |
| 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 |
| BlueDesc-pywrapper |
0.0.3 |
Python wrapper for BlueDesc molecular descriptors |
2023-07-14 13:20:02 |
| 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 |