| Name | Version | Summary | date |
| rdworks |
0.70.2 |
For chained workflows built on RDKit |
2025-11-03 20:24:09 |
| bioql |
6.0.0 |
Enterprise Quantum Computing v6.0.0 - MULTI-OMICS PLATFORM: Proteomics (Protein Analysis, PTM Prediction, PPI), Metabolomics (Pathway Analysis, FBA/MFA), Multi-Omics Integration (Quantum Fusion), Advanced Genomics (Variant Calling, Epigenetics, RNA-Seq) + Full Drug Discovery Pipeline - Production Ready! |
2025-10-25 18:11:48 |
| MASSA-Algorithm |
2.0.1 |
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. |
2025-10-16 16:29:54 |
| rdfreader |
1.0.3 |
Read the full contents of CTAB .rdf files in python. Captures RXN and MOL record using RDKit and reads additional data fields (including solvents/catalysts/agents). |
2025-09-06 14:18:13 |
| rdkit-data-pipeline-tools |
0.1.5 |
High-performance molecular operations using RDKit's C++ core through nanobind bindings |
2025-08-30 14:02:33 |
| pepflex |
0.0.1 |
A modular framework for in silico peptide screening and evolution. |
2025-07-13 17:41:22 |
| nonadditivity |
2.0.1 |
A program to find key complex patterns in SAR data |
2025-04-29 15:37:05 |
| ChemDescriptors |
0.0.8 |
Chemical descriptors is a powerful Python package facilitating calculation of fingerprints for CSV files |
2025-01-05 19:26:28 |
| Chemical-Descriptors |
0.0.1 |
Chemical descriptors is a powerful Python package facilitating calculation of fingerprints for CSV files |
2025-01-05 01:19:48 |
| 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 |
| 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 |