Use when performing Matched Molecular Pair Analysis (MMPA) for SAR extraction, property cliff identification, bioisostere discovery, or analogue generation. Covers MMP theory and fragmentation schemes, mmpdb 4 CLI workflow (fragment/index/loadprops/transform), RDKit programmatic MMP generation, statistical SAR delta analysis, and applying transforms to generate focused libraries.
How to install mmpa?
kdevos12/alkyl/mmpa
$npx -y skills add kdevos12/alkyl --skill mmpaInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/kdevos12/alkyl" --skill "kdevos12/alkyl/mmpa"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/kdevos12/alkyl" that are relevant to the current task. Run `npx skills add "https://github.com/kdevos12/alkyl"` and select the relevant skills, then follow their instructions.
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