| Name | Version | Summary | date |
| biocatalyzer |
0.1.2b0 |
BioCatalyzer: a rule-based tool to predict compound metabolism |
2025-02-12 10:42:44 |
| scikit-fingerprints |
1.13.0 |
Library for effective molecular fingerprints calculation |
2025-01-31 15:12:11 |
| chem-ant |
0.1.2 |
Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming. |
2024-11-02 11:24:43 |
| conphar |
0.1.2 |
ConPhar |
2024-09-25 09:07:16 |
| 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 |
| bemm-gen |
2024.7.26 |
Biomolecular Environment Mimicking Model GENerator |
2024-07-26 01:56:10 |
| cemm-gen |
2024.7.23 |
Cellular Environment Mimicking Model GENerator |
2024-07-22 07:34:53 |
| moldrug |
3.7.3 |
moldrug is a python package for drug-oriented optimization on the chemical space. |
2024-07-05 15:28:13 |
| 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 |