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deepmedchem 0.4.0b3

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@mireklzicar mireklzicar released this 16 Oct 19:30
· 4 commits to main since this release
v0.4.0b3
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Learn about vigilant mode.

Adds per-database optimization capability discovery, native constraints and objectives, streaming results, and resumable campaigns.

Supported ADMET constraints and objectives guide CP16 acquisition on the server and receive final full-product teacher validation. Use client.optimizations.capabilities(database) to discover available endpoints, units, and release pins; availability depends on the deployment and database. Custom docking remains an external scoring callback.

Install with pip install --upgrade deepmedchem==0.4.0b3.

Validated on Python 3.9–3.13, with package checks, SDK/backend contract tests, and a clean-wheel authenticated catalog/search smoke against development.

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