| Name | Version | Summary | date |
| MASSA-Algorithm |
0.9.6 |
MASSA Algorithm is a Python package to separate data sets of molecules into training and test sets, considering the diversity of structural, physicochemical and biological characteristics of these molecules. |
2024-12-04 19:52:52 |
| rdkit-stubs |
0.8 |
type stubs for rdkit |
2024-09-19 18:43:50 |
| uamc-spectrophore |
1.3.0 |
Python implementation of the spectrophore descriptor |
2024-09-19 10:11:23 |
| MoleculaPy |
1.1.3 |
A command-line application that utilizes the RDKit library to compute molecular descriptors and fingerprints, aiding in the analysis and characterization of chemical structures |
2024-09-07 13:40:02 |
| nonadditivity |
2.0.0 |
A program to find key complex patterns in SAR data |
2024-07-14 22:27:37 |
| chemicalspace |
0.1.1 |
An Object-oriented Representation for Chemical Spaces |
2024-06-03 15:04:46 |
| amethyst-rdkit |
1.0 |
An analogue generator. |
2024-05-18 17:17:45 |