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computational-chemistryresearch

medchem

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.

View Sourcecomputational-chemistry
lamm-mit
maintainer
lamm-mit
Updated 3/14/2026
Stars
156
Forks
35
quick start

Installation and usage

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.

Installation
$ install --globalskills.sh
Usage

Once installed, you can use this skill by running the following command in your terminal:

skills use medchem