skills/claude-scientific-skills
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claude-scientific-skills/scientific-skills/rdkit
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jiaodu1307 06ac0af626 refactor(rdkit): update fingerprint generation to use rdFingerprintGenerator API 
- Replace direct calls to AllChem, Pairs, and Torsions with rdFingerprintGenerator in similarity_search.py
- Update example code in SKILL.md to reflect the new API usage
- Maintain existing functionality while adopting the modern fingerprint generation interface recommended by RDKit
2026-01-26 20:25:28 +08:00
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references
Consolidate skills
2025-11-13 18:50:42 -08:00
scripts
refactor(rdkit): update fingerprint generation to use rdFingerprintGenerator API
2026-01-26 20:25:28 +08:00
SKILL.md
refactor(rdkit): update fingerprint generation to use rdFingerprintGenerator API
2026-01-26 20:25:28 +08:00