domains / science / cheminformatics-datamol / datamol

datamol

Skill card

authentic

The K-Dense-AI copy is the authoritative, upstream-style skill. It provides specific version pinning (datamol 0.13.0), detailed environment requirements (Python 3.11+, RDKit 2024.09+), and critical implementation details like the `batch_size` requirement for parallel descriptor computation in version 0.13.0. The other two copies (aipoch and FreedomIntelligence) are clearly derived or mirrored versions that lack these specific constraints, use generic installation commands (`uv pip install datamol`), and in the case of aipoch, include irrelevant boilerplate about `validate_skill.py` that does not apply to the datamol library itself.

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