Medical & Healthcare
AlterLab Datamol
Wraps RDKit in a high-level, pandas-friendly datamol interface with sensible defaults for everyday drug discovery — SMILES/SDF loading into DataFrames, molecule standardization, descriptors, fingerprints, Butina clustering, 3D conformer generation, scaffold analysis, and parallel batch processing, returning native rdkit.Chem.Mol objects. Use when running standard cheminformatics pipelines on molecule tables with minimal boilerplate; for low-level control, custom sanitization, or specialized algorithms prefer alterlab-rdkit. Part of the AlterLab Academic Skills suite.
- Publisher / source
- AlterLab-IEU/AlterLab-Academic-Skills (found on the CSV list)
- Upstream record
- AlterLab-IEU/AlterLab-Academic-Skills
- Version
- Version 2
- Published
- Publication review
- Approved for publication
- Content fingerprint
5847a93ddabb3da4eef220809c07568523a8fb644d5121f77bb2582ae7ecb0fb