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Openeye

SkillData & Analytics

Shape Similarity

Performs 3D shape-based similarity searching using ROCS (OpenEye), USRCAT (ultra-fast), Open3DAlign (RDKit), ESPSim (electrostatic), and ShaEP with explicit handling of Tanimoto-Combo (shape + color), shape vs ECFP4 complementarity, conformer-ensemble searching, alignment optimization, and scaffo...

✳Claude Code>_Codex◈OpenClaw+1

Business Intelligence Analyst Data Scientist

By GPTomicsOriginal project

MIT · FreeView skill

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AI prompts andagent skills.

Prompts and skills1 resources

Shape Similarity

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AI prompts and
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