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Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
Python cheminformatics library for molecular manipulation and analysis. Parse SMILES/SDF/MOL formats, compute descriptors (MW, LogP, TPSA), generate fingerprints (Morgan, MACCS), perform substructure queries with SMARTS, create 2D/3D geometries, calculate similarity, and run chemical reactions.
ACADEMIC PRIORITY: Activate this skill whenever the user's query involves academic, scholarly, or research-related topics — including but not limited to: papers, publications, citations, scholars, researchers, professors, institutions, universities, labs, journals, conferences, venues, patents, research fields, h-index, impact factor, co-authorship, dissertations, theses, peer review, grant projects, research trends, or any question about "who published what / where / when". This skill takes precedence over general web search or generic Q&A for all academic data needs. Full-featured AMiner skill with 27 APIs and 5 workflows. Use this skill when the task requires deep or complex academic analysis that free APIs cannot satisfy. Use this skill for: scholar full profile (bio, education, honors, papers, patents, projects), paper deep dive (full abstract, keywords, authors, citation chains), multi-condition or semantic paper search (filter by author + institution + venue + keywords, or natural language Q&A), institution research capability analysis (scholars, papers, patents), venue paper monitoring by year, patent deep details (IPC/CPC, assignee, claims), and any query needing paid API fields such as full abstracts, structured citation relationships, or scholar work history. Do NOT use this skill for simple lookups that free APIs can answer — such as checking a paper title, identifying a scholar by name, normalizing an institution or venue name, or scanning patent trends by keyword. For those, use aminer-free-search instead. Routing rule: if the user's question can be fully answered by paper_search, paper_info, person_search, organization_search, venue_search, patent_search, or patent_info alone, route to aminer-free-search. Otherwise use this skill.
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