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計算化學 | Skills Pool

分類計算化學

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計算化學

4934 個技能

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4934 個技能

Ensemble Docking

Multi-engine ensemble docking pipeline for virtual screening. Use when docking ligand libraries against protein targets with tiered accuracy. Integrates Uni-Dock (GPU fast scan), DiffDock (deep learning), and GNINA (CNN scoring) for consensus-based hit ranking.

Crm Contact Intelligence

Deep contact review and Obsidian note creation from interaction history

Cimminelli19820

Review Architect

Translates raw clinical monitoring activity into high-impact, professional performance bullet points for annual reviews.

Physics Logic

Unity physics systems: Rigidbody, collisions, triggers, layers, and physics queries (Raycast, OverlapSphere).

Procedural Animation Ik

Procedural animation and IK specialist for dynamic, responsive character motion.

Ai Security

Best practices for securing AI applications, including Guardrails, PII masking, and Prompt Injection defense.

Daniel-da-Silva-Alves0

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Literature Survey

Systematic literature search for metamaterial designs targeting specific electromagnetic properties. Uses the target_to_hypothesis v4 pipeline with campus browser for full-text extraction, Phase 3 deep analysis, figure embedding, and Padilla Lab related work. Produces research_notes.md with ranked hypotheses and a Phase 3 report with per-paper analysis, cross-paper synthesis, and design recommendations.

Hypothesis Generator

Generate concrete metamaterial design hypotheses with geometric parameters, CST simulation specs, and evidence links. Use when you need simulation-ready candidate designs from mapped families.

Panel Forensic

Core visual forensic analysis engine — performs atomic-level manga page analysis using Dialogue-Anchor Protocol via Kana agent. Use when the user says '/panel-forensic', 'analyze manga page', or 'forensic analysis'.

Bpes

Run BPES (headless Chromium per-session parity test).

Embedding Strategies

Select and optimize embedding models for semantic search and RAG applications. Use when choosing embedding models, implementing chunking strategies, or optimizing embedding quality for specific dom...

Intel Quantum

Daily intelligence briefing for Quantum Computation. Collects trending X posts (48h hot + 7-day slow-burn), hot papers (48h), runs xray on top papers, and archives structured notes with Napkin Digest to Obsidian.

Vector Db

Work with vector databases for semantic search: Chroma, Qdrant, Weaviate. Embeddings, similarity search, collections, upsert, query patterns. Trigger: when using vector databases, semantic search, embeddings, Chroma, Qdrant, Weaviate, similarity search, RAG, vector search

dennisonbertram0

Fda Consultant Specialist

FDA regulatory consultant for medical device companies. Provides 510(k)/PMA/De Novo pathway guidance, QSR (21 CFR 820) compliance, HIPAA assessments, and device cybersecurity. Use when user mentions FDA submission, 510(k), PMA, De Novo, QSR, premarket, predicate device, substantial equivalence, HIPAA medical device, or FDA cybersecurity.

Purple Teaming

Plan and execute purple team exercises for detection validation. Collaborative offensive/defensive testing using atomic or scenario-based methodologies. Triggers on "purple team", "detection validation", "atomic test", "adversary emulation", or requests for ATT&CK technique test cases, Splunk/Sigma queries, detection coverage gaps, or Kill Chain/Diamond Model/Pyramid of Pain analysis. Methodologies: ATOMIC (isolated techniques), SCENARIO (attack chains).

Jailbreak Testing

Jailbreak and safety guardrail bypass testing. Covers persona attacks, cognitive framing, token smuggling, and encoding chain bypasses.

Ehrlichialinfection

Expertise in exploring the intersection of infectious diseases and hematological disorders, with a focus on the potential therapeutic applications of antibiotics in treating leukemia.

Prompt Injection

Prompt injection testing playbook covering direct, indirect, encoding, and multi-turn injection attacks against LLM applications.

Waf Bypass

WAF detection and bypass techniques. Use when WAF is detected or payloads are blocked.

Risk Assessment

Synthesizes lesion data and historical cases into a comprehensive risk profile using WebLLM SmolLM2

Physics Tests

Generate and run a physics validation test suite for D2NN/FD2NN optical pipeline. Tests energy conservation, sampling, normalization, and propagation correctness.

Ai Fairness 360

IBM toolkit to examine, report, and mitigate discrimination and bias in machine learning models.

DTMC-marketplace0

Codecarbon

Track CO2 emissions from computing and machine learning training.

DTMC-marketplace0

Dm Qa Tester

QA tester for Dungeons & Moles. Spins up the local environment, opens the game in a browser, and tests the full gameplay loop — UI, transactions, combat, POIs, and edge cases. Uses agent-browser for browser automation. Designed for multi-agent parallel testing.

Dungeons-Moles0

Cleo Drug Search

Search drugs by name. Triggered by "Cleo, search for metformin", "find drug lipitor", "look up amoxicillin", or any drug name query that isn't a specific MEDID/NDC/code lookup. Returns matching products grouped by brand/generic family with strengths, MEDIDs, therapeutic class, and FDB hierarchy IDs.

Cleo Ddi Check

Check drug-drug interactions (DDI) between two or more medications using FDB data. Triggered by questions like 'do X and Y interact?', 'is it safe to take A with B?', 'check interactions for these drugs', 'what are the interactions between drug1 and drug2?', or any multi-drug safety question. Returns severity level, monograph title, mechanism, clinical effects, and patient management guidance.

Cleo Reverse Indication

Find drugs that treat a condition. Triggered by "what treats hypertension?", "Cleo, drugs for diabetes", "what medications are indicated for migraines?", or any "what treats X?" question. Searches FDB diagnosis descriptions and returns indicated drugs grouped by labeled/off-label with therapeutic classes.

Cleo Route Search

Search for drug routes and dose forms by name. Triggered by "what are the routes for Lipitor?", "Cleo, how is amphotericin administered?", "what forms does metformin come in?", or any question about drug routes, administration, or available dose forms. Returns all routed meds matching the name with routes, dose forms, and products.

Query Frameworks

Query LIAM (Life Intelligence Augmentation Matrix) for scientific frameworks applicable to a decision, problem, or life question. Returns framework names, when to use them, key concepts, limitations, and a synthesis of how they apply. Use this to dynamically discover frameworks as they are added to the knowledge graph.

Elsian Analyst Red Team Researcher

Researcher depth 2 del stage RED_TEAM para contra-evidencia cuantitativa o cualitativa.