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@HzaCode HzaCode commented Sep 21, 2025

Summary

Add ChemInformant to Python Modules → Tools.

High-throughput cheminformatics toolkit for large-batch retrieval/curation and descriptor & substructure pipelines; CLI+API; RDKit/DeepChem compatible.
Paper: https://joss.theoj.org/papers/10.21105/joss.08341
Web: https://hezhiang.com/cheminformant_real.html

Why it’s awesome

  • High-throughput / batch-first workflows (large-scale retrieval & curation).
  • Descriptor & substructure pipelines that plug into RDKit/DeepChem.
  • Dual interface: clean CLI + API for scripting and pipelines.

Checklist

  • One link per PR.
  • Follows the list’s style; concise, ends with a period.
  • Placed in the correct section and sorted alphabetically.
  • Spelling/grammar checked.
  • Links verified.

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