| Name | Version | Summary | date |
| scaffound |
0.0.1 |
Python implementation of Dompé's 'Molecular Anatomy' |
2025-08-04 14:46:15 |
| solphedge |
0.0.4.post3 |
pH-dependent solubility predictions for small molecules |
2025-07-09 21:35:32 |
| Mold2-pywrapper |
0.1.2 |
Python wrapper for Mold2 descriptors |
2024-11-06 07:24:01 |
| BlueDesc-pywrapper |
0.0.5.post1 |
Python wrapper for BlueDesc molecular descriptors |
2024-05-17 19:37:10 |
| CDK-pywrapper |
0.1.0 |
Python wrapper for CDK molecular descriptors and fingerprints |
2024-01-15 21:13:43 |
| papyrus-structure-pipeline |
0.0.5 |
Papyrus Structure Pipeline |
2023-09-20 10:51:33 |
| enumerate-smiles |
0.0.1.post1 |
Enumerate heterocycles, stereoisomers, tautomers and SMILES of molecules. |
2023-09-10 18:16:43 |
| jcompoundmapper-pywrapper |
0.0.2 |
Python wrapper for jCompoundMapper molecular fingerprints |
2023-08-23 12:52:15 |
| pepsift |
0.0.2.post1 |
Identify peptides and derivatives from small molecule datasets |
2023-08-04 14:14:19 |
| 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 |
| prodec |
1.0.2.post5 |
A package to calculate protein sequence descriptors |
2023-01-16 00:36:00 |
Olivier J. M. Béquignon