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Timothy Kassis
2025-10-21 12:50:07 -07:00
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scientific-packages/datamol/SKILL.md
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@@ -7,7 +7,7 @@ description: "Pythonic RDKit wrapper for cheminformatics. SMILES parsing, standa
## Overview
Datamol is a Python library that provides a lightweight, Pythonic abstraction layer over RDKit for molecular cheminformatics. It simplifies complex molecular operations with sensible defaults, efficient parallelization, and modern I/O capabilities. All molecular objects are native `rdkit.Chem.Mol` instances, ensuring full compatibility with the RDKit ecosystem.
Datamol is a Python library that provides a lightweight, Pythonic abstraction layer over RDKit for molecular cheminformatics. Simplify complex molecular operations with sensible defaults, efficient parallelization, and modern I/O capabilities. All molecular objects are native `rdkit.Chem.Mol` instances, ensuring full compatibility with the RDKit ecosystem.
**Key capabilities**:
- Molecular format conversion (SMILES, SELFIES, InChI)