BigHugger
sk Skill · K-Dense-AI

chemical-space

Navigate make-on-demand catalogues — ZINC-22 through CartBlanche and Enamine REAL Space — to find compounds that can actually be ordered. Use this skill to look substances up by ZINC identifier or structure, understand tranche partitioning by heavy-atom count and logP, and choose between screening an enumerated subset and searching a combinatorial synthon space with a fragment-growing method such as V-SYNTHES. Also…

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bashPython
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K-Dense-AI/drug-discovery-agent-skills
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1.0
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MIT
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Python