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.
maintainer
wuyoscar
更新於 4/10/2026
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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.
安裝
$ install --globalskills.sh
使用
安裝後，您可以通過在終端運行以下命令來使用此技能：
skills use compbio-plip-analysis