Datamol Cheminformatics Skill
- **Datamol Documentation**: https://docs.datamol.io/
LLM Evaluation
Evaluated by: xiaomi/mimo-v2-flash:free
Last evaluated: March 29, 2026
Prompt Preview
---
name: datamol
description: Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
license: Apache-2.0 license
metadata:
skill-author: K-Dense Inc.
---
# Datamol Cheminformatics Skill
## Overview
Datamol is a...
Full prompt length: 18861 characters
Tools & Technologies
- python
- Python