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deepmedchem 0.3.0b2

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@mireklzicar mireklzicar released this 06 Sep 15:51
v0.3.0b2
970c65f

Adds short database names across the Python SDK and CLI, a compact catalog in the documented order, and a detailed catalog with full database IDs, BioSolveIT mappings, availability, and vendor links.

  • Accept names such as enamine, freedom, and vast in synchronous and asynchronous requests, selections, and order CSV input.
  • Refresh README chemical-space tables, migration guidance, links, and production Enamine examples with restored price estimates.
  • Clarify price-estimate assumptions and update VAST H2 2026 lead-time and synthesis-success metadata.
  • Replace the blanket CLI delivery estimate with database-specific guidance.

Validation: 88 tests, lint, wheel/sdist builds, Twine metadata checks, and installation smoke tests. CI covers Python 3.9–3.13.

Install or upgrade:

python -m pip install --upgrade deepmedchem==0.3.0b2
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