16 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Boltz | 63K | |
| Boltz for VSYNTHES | 3K | |
| Sandbox for Computational Protein Design | 2K | |
| Python drug discovery toolkit for Boltz2 structure and affinity prediction, Bolt... | 1K | |
| RDKit library to deal with ChEBI's chemistry | 615 | |
| A Python package for chemical identifier resolution and experimental property ex... | 507 | |
| Papyrus Structure Pipeline | 392 | |
| A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/... | 335 | |
| CYPstrate: Prediction of Cytochrome P450 substrates | 313 | |
| Common processing functionality for the ChEBI ontology | 203 | |
| BenchAudit -- data hygiene and similarity audits for molecular and DTI benchmark... | 200 | |
| Variational AutoEncoder for learning embeddings of molecules in a chemistry-awar... | 164 | |
| Annotates the Sites of Metabolism (SOMs) of substrate-metabolite pairs. | 102 | |
| A Python package wrapping several chemical structure filtering, rendering and st... | 97 | |
| A Chemistry-Focused Predictor of Toxicity Risks in Late-Stage Drug Development | 94 | |
| ReactEA: Combining Evolutionary Algorithms With Reaction Rules Towards Focused M... | 84 |
