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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
Обновлено 4/10/2026
Звёзды
785
Форки
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.

Установка
$ install --globalskills.sh
Использование

После установки вы можете использовать этот skill, выполнив следующую команду в терминале:

skills use compbio-plip-analysis