search-and-curate-chemical-libraries
对已标准化化合物库执行可审计的相似性、子结构、聚类、多样性选择和只读治理。用于查找结构邻居、筛选子结构、整理分子库或选择代表分子。
Pinned to revision b943185fae20, so it is the text this page describes rather than whatever the author pushed since.
Files
- skills/search-and-curate-chemical-libraries/SKILL.md
- skills/search-and-curate-chemical-libraries/agents/openai.yaml
- skills/search-and-curate-chemical-libraries/references/FeaturesArtifact消费合同.md
- skills/search-and-curate-chemical-libraries/references/输入输出与科学边界.md
- skills/search-and-curate-chemical-libraries/scripts/feature_artifact_contract.py
- skills/search-and-curate-chemical-libraries/scripts/requirements.txt
- skills/search-and-curate-chemical-libraries/scripts/search_and_curate.py
- skills/search-and-curate-chemical-libraries/scripts/validate_output.py
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