20 dependents
| Package | Description | Downloads/month |
|---|---|---|
| A tool for evaluating the predictive performance on activity cliff compounds of ... | 3K | |
| Utilities for packaging PDB chemical reference data | 2K | |
| Lightweight, object-oriented backend bioinformatics package which simplifies int... | 2K | |
| RCSB module containing methods for target data management | 2K | |
| MCP servers for biological and medical APIs | 2K | |
| CPIExtract is a software package to collect and harmonize small molecule and pro... | 1K | |
| A Python package to extract chemical, biochemical, and bioactivity data from pub... | 841 | |
| chembl_miner is a Python package designed to streamline the process of Quantitat... | 634 | |
| Build leakage-free Drug-Target Affinity datasets from ChEMBL and train Graph Neu... | 620 | |
| 524 | ||
| Obtain New Molecular Entities (NME) Drug Approval Data | 322 | |
| mirror of matt wall's miner3 | 306 | |
| A collection of tools for molecular machine learning | 238 | |
| Cheminformatics toolkit for property calculation, filtering, and QSAR modeling | 191 | |
| A comprehensive chemical compound analysis platform for drug discovery research,... | 141 | |
| Chemical structure-label pair extraction from scientific documents. | 118 | |
| A collection of MCP tools for AI agents to interact with major biomedical databa... | 113 | |
| A Python package to flexibly aggregate ChEMBL data into ML-ready datasets using ... | 108 | |
| 91 | ||
| Get the biological targets of compounds. | 83 |
