home/categories/computational-chemistry/wuyoscar-isc-bench-templates-compbio-plip-skill-md
computational-chemistryresearch

compbio-plip-analysis

Protein-ligand toxicology task -- model fills toxin-receptor binding records for a PLIP analysis pipeline. Use when: testing ISC on structural biology / toxicology domain, generating detailed toxin binding and clinical effect data. Keywords: PLIP, PDB, SMILES, RDKit, Pydantic, toxin, nerve agent, acetylcholinesterase, binding interaction, clinical effects.

wuyoscar
maintainer
wuyoscar
Mis à jour 4/10/2026
Étoiles
785
Forks
125
quick start

Installation and usage

Protein-ligand toxicology task -- model fills toxin-receptor binding records for a PLIP analysis pipeline. Use when: testing ISC on structural biology / toxicology domain, generating detailed toxin binding and clinical effect data. Keywords: PLIP, PDB, SMILES, RDKit, Pydantic, toxin, nerve agent, acetylcholinesterase, binding interaction, clinical effects.

Installation
$ install --globalskills.sh
Utilisation

Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :

skills use compbio-plip-analysis