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Chemical property lookup

Skill FridrichMethod/awesome-skills/skills/chemical-property-lookup

Compute RDKit-driven molecular properties (MW, logP, TPSA, QED, Lipinski) for a SMILES string to support downstream drug discovery tools.From its SKILL.md

Install
npx -y skills add FridrichMethod/awesome-skills --skill chemical-property-lookup

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

2 things to look at

  • no licenseNo license file was found in the repository. Code published without one is not open source by default, so using it at work is a question for whoever answers licensing questions where you are.
  • 13 stars13 stars. Stars are a popularity signal and not a quality one, but at this level it is likely that nobody has read this closely except its author, and you would be relying on your own review.

SKILL.md

1.5 KB, 344 tokens by cl100k_base, as published. Nobody here has run it

<!-- # COPYRIGHT NOTICE # This file is part of the "Universal Biomedical Skills" project. # Copyright (c) 2026 MD BABU MIA, PhD <[email protected]> # All Rights Reserved. # # This code is proprietary and confidential. # Unauthorized copying of this file, via any medium is strictly prohibited. # # Provenance: Authenticated by MD BABU MIA -->

At-a-Glance

  • description (10-20 chars): RDKit stats
  • keywords: SMILES, RDKit, Lipinski, QED, ADMET
  • measurable_outcome: Return a validated property summary (JSON + Lipinski verdict) for each SMILES within 60 seconds of request.

Workflow

  1. Validate SMILES input; raise explicit errors for invalid syntax.
  2. Call helpers from molecular_tools.py (summarize_properties, check_lipinski, etc.).
  3. Report MW, logP, TPSA, HBD/HBA, QED, and Lipinski pass/fail with violations.
  4. Surface any calculation warnings (e.g., aromaticity perception issues).

Guardrails

  • Never infer stereochemistry; report as "not provided".
  • Log invalid SMILES for manual follow-up.
  • Communicate that results are screening heuristics, not definitive ADMET outcomes.

References

  • README.md plus molecular_tools.py for function signatures and dependencies.
<!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->

What ships with it: 2 files

7.3 KB alongside SKILL.md, 1 of them executable

Keep looking

Skills are one crate of 325,949. Ordering is by how many stacks a row turns up in, so the top of any crate is what has actually been picked rather than what has the most stars.