6 projects
retrocast
a framework for ingesting, validating, canonicalizing, and adapting retrosynthesis model outputs to a unified benchmark standard.
cooldown-guard
auditable uv cooldown exceptions for emergency dependency upgrades
calcflow
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ischemist
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directmultistep
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ChemSpaceAL
ChemSpaceAL Python package: an efficient active learning methodology applied to protein-specific molecular generation
