GitHub
ligandmpnn-reference
LigandMPNN sequence design reference. Use when working with LigandMPNN, ProteinMPNN, sequence design, amino acid biasing, fixed residues, temperature, side chain packing, or membrane protein design.
Skills IA business computational chemistry
Découvrez les skills business computational chemistry, comparez leurs dépôts et consultez leurs instructions.
Catégories: business computational chemistry
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Explorer
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deep-research
Perform comprehensive research using the diffusion research loop - parallel worker agents, iterative gap detection, and structured synthesis. Use when you need thorough, multi-perspective research with citation...
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visual-predictive-checks
Guidelines for visual predictive checks following Säilynoja et al. recommendations using ArviZ
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stan-ode-modeler
Guidelines for Stan models with ODE-based dynamics using modern interfaces
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clause-mapper
Map LogiDocs features to ISO standard clauses and vice versa. Use when the user asks to "map clauses", "ISO coverage", "which clause", "compliance mapping", or needs to understand how platform features align wi...
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research-planner
Create detailed research plans by decomposing structured prompts into subtopics, search strategies, and agent deployment configurations. Extracted from Phase 2 of research-executor for standalone planning capab...
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goap-orchestrator
Central Goal-Oriented Action Planning orchestrator that plans and executes clinical analysis pipelines
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risk-assessment
Synthesizes lesion data and historical cases into a comprehensive risk profile using WebLLM SmolLM2
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mip-verify
Phase 6 of MIP pipeline - Verify all quotes against source text, validate quantitative claims, and generate the appendix with sample annotations.
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research-and-incorporate
Research external topics, create comprehensive analysis, determine project applicability, and incorporate learnings into Brain memory system. Transforms knowledge into searchable, actionable project context.
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validation-suite
Full simulation validation workflow. Run comprehensive checks comparing simulation output to NFL statistical targets across all categories.
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prostate-cancer-calculator
Clinical decision support for prostate cancer: risk stratification (NCCN/EAU/CAPRA), LNI prediction (Briganti/Roach), PSADT/BCR assessment, salvage RT planning, and Polish NFZ drug programmes (B.56 for apalutam...
GitHub
b56-prostate-cancer-programme
Polish NFZ drug programme B.56 for prostate cancer (ICD-10 C61). Use when helping clinicians with patient qualification, drug selection, dosing, monitoring, or follow-up for mHSPC, nmCRPC, or mCRPC treatment wi...
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investigation-cycle
HAIOS Investigation Cycle for structured research and discovery. Use when starting or resuming an investigation. Guides HYPOTHESIZE->EXPLORE->CONCLUDE workflow with phase-specific tooling.
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input-normalizer
3つの入力モード（薬剤起点/PICO起点/CQ起点）を統一フォーマットに変換し、 後続のRWD研究企画スキルが利用できる構造化データを生成する。
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evidence-scout
指定薬剤・適応・国・データベース特性に基づき、PubMed/Web検索で先行RWD研究・RCT・ガイドラインを調査し、 エビデンスランドスケープを要約する。JMDC/MDV等クレームDBとの差別化観点を必ず含める。
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ehr-advantage-designer
当社EHR-RWDの強み（経過記録テキスト、臨床サマリー、検査値）を最大限活用する 研究デザインを設計する。クレームDB（JMDC/MDV）では不可能な研究要素を具体化。
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lucy-ngsanitize
AI-assisted sanitization of Bruker NMR datasets for blind CASE studies. Removes compound identity from metadata while preserving spectroscopic data for valid CASE evaluation.
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lucy-ngcase
Full de novo structure elucidation - skip dereplication and solve the structure from NMR correlations. Use when dereplication returned no matches, the compound is known to be novel, or you want to solve the str...
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lucy-ng
Computer-Assisted Structure Elucidation (CASE) for organic natural products using NMR spectroscopy. Use when the user asks to identify an unknown compound from NMR data, perform structure elucidation, analyze H...
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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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dpd
Work with Dynamic Prime Directive (DPD) system - analyze empathy/coherence/dissonance weights, view DPD evolution history, debug weight calculations
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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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analysis
Symmetry analysis, Lyapunov exponent chaos detection, and period detection APIs. Use when analyzing CA states, detecting patterns, measuring stability, or classifying dynamic behavior.
Le classement utilise les étoiles du dépôt GitHub indexé. Plusieurs skills peuvent partager ce nombre : ce n’est ni un nombre d’installations ni une note de qualité.