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sk Skill · PKU-YuanGroup

admet_genetic

ADMET-guided genetic molecule optimization workflow from seed SMILES; use when the agent needs to build or run an RDKit/SA-Score/ADMET-AI GA pipeline for molecule optimization, enforce molecule lineage logs, render optimization-history HTML dashboards, and write candidate triage reports.

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Host repository
PKU-YuanGroup/OpenAI4S
Category
chemistry
Host stars
552
Host language
Python