GitHub
lucy-ngdereplicate
Dereplication only - match observed 13C shifts against reference databases to identify known compounds. Use for quick checks if a compound is already known before deciding whether full CASE is needed.
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tools computational chemistry AI 技能
发现 tools computational chemistry 相关 Skills，比较来源仓库和用途，查看适合你工作流的技能说明。
分类目录: tools computational chemistry
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GitHub
dpd
Work with Dynamic Prime Directive (DPD) system - analyze empathy/coherence/dissonance weights, view DPD evolution history, debug weight calculations
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GitHub
advanced
Particle-Lenia hybrid systems, bioelectric patterns, and Flow-Lenia mass-conserving dynamics. Use when implementing hybrid simulations, reaction-diffusion systems, or mass-conserving CA.
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GitHub
analysis
Symmetry analysis, Lyapunov exponent chaos detection, and period detection APIs. Use when analyzing CA states, detecting patterns, measuring stability, or classifying dynamic behavior.
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GitHub
lenia-core
Core Lenia engine API, stable parameters, multi-species presets, and growth functions. Use when working on the simulation engine, configuring organisms, or debugging parameter issues.
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GitHub
3d-lenia
3D volumetric Lenia engine, presets, slice visualization, and GPU pipeline. Use when working on 3D simulation, volumetric rendering, or 3D organism presets.
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GitHub
bias-assessment
Evaluate AI systems for fairness using demographic parity, equalized odds, and bias detection techniques with mitigation strategies.
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GitHub
fpf-methodology
First Principles Framework (FPF) for structured, auditable reasoning.
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GitHub
adr-integration
This skill should be used when the user asks about "ADR integration", "ADR CI/CD", "ADR tooling", "ADR automation", "export ADRs", "ADR documentation site", or needs guidance on integrating ADRs with CI/CD, doc...
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GitHub
conducting-deep-research
Use when asked for "deep research", "thorough analysis", "comprehensive report", "investigate", "due diligence", or when multiple sources are needed to answer complex questions. Produces well-sourced research r...
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GitHub
literature-search
Search PubMed for RNAi/dsRNA research on target genes or species (utility skill - use anytime)
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GitHub
design-dsrna
Design dsRNA candidates using sliding window algorithm
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GitHub
blast-screen
Screen dsRNA candidates for off-target matches in human and honeybee
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GitHub
score-rank
Calculate final scores combining efficacy and safety
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GitHub
research
Diagnose research quality and guide systematic query expansion. Use when starting research on any topic, when stuck in research, or when unsure if research is complete.
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GitHub
aind-infrastructure
Knowledge about AIND data infrastructure including MongoDB/DocumentDB access patterns, S3 asset storage, collection schemas, and query patterns. Use when working with AIND analysis results, querying metadata, o...
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GitHub
feature-impact-analyzer
Product strategist for scoring and ranking feature ideas using RICE/ICE prioritization frameworks, connecting features to business KPIs (retention, growth, revenue), and identifying quick wins vs strategic bets...
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GitHub
rlm-patterns
Library of Recursive Language Model analysis patterns. Reference when designing analysis strategies for large documents.
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GitHub
alphafold-database
Access AlphaFold 200M+ AI-predicted protein structures. Retrieve structures by UniProt ID, download PDB/mmCIF files, analyze confidence metrics (pLDDT, PAE), for drug discovery and structural biology.
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GitHub
sail-membrane-numerics
Expert guidance for nautical sail (vela) membranes and thin-structure modeling with numerical stabilization. Use for questions about unstable or divergent computations, nonlinear solve failures, time integratio...
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GitHub
nmrxiv
Search and download NMR spectroscopy datasets from nmrxiv.org. Use when the user asks to find NMR data, search for HSQC/HMBC/COSY/DEPT experiments, look up compounds by name or SMILES, download NMR datasets, or...
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GitHub
red-team-research
Adversarial research validation using Red Team/Blue Team methodology. Use when researching complex topics, fact-checking claims, or producing research reports. Validates outputs through Gemini 3 Pro critic befo...
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GitHub
weaver
Map-Reduce system for comprehensive reports and literature reviews. Breaks topic into chapters, researches each in parallel, then weaves into unified document. Use for deep research, reports, and synthesis.
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GitHub
literature-review
Generate structured literature reviews on research topics by synthesizing findings from multiple papers. Use when conducting research surveys, identifying themes and gaps, or preparing academic writing on any s...
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默认按已收录数据中的 GitHub 仓库 Stars 排序。Stars 属于来源仓库，同一仓库的多个技能可能共享相同数值；它反映仓库关注度，不代表单个技能的安装量或质量评分。