similarity-searching

Performs molecular similarity searches using Tanimoto coefficient on fingerprints via RDKit. Finds structurally similar compounds using ECFP or MACCS keys and clusters molecules by structural similari

by mdbabumiamssm· Repository·other

Run in AgentArea Browse All Skills

Also installable via skills CLI

npx skills add mdbabumiamssm/LLMs-Universal-Life-Science-and-Clinical-Skills-/Skills/Drug_Discovery/Chemoinformatics/similarity-searching

Source

Repo:github.com/mdbabumiamssm/LLMs-Universal-Life-Science-and-Clinical-Skills-

Path:Skills/Drug_Discovery/Chemoinformatics/similarity-searching(main)

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