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tools computational chemistry AI Skills

Discover tools computational chemistry skills, compare source repositories and read the instructions for each workflow.

Categories: tools computational chemistry

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GitHub

mimic-eicu-mapping

hannesill

Map equivalent concepts between MIMIC-IV and eICU databases. Use for multi-database studies, external validation, or understanding structural differences between databases.

GitHub

sirs-criteria

hannesill

Calculate SIRS (Systemic Inflammatory Response Syndrome) criteria for ICU patients in MIMIC-IV. Use for historical sepsis definitions, inflammatory response assessment, or research comparing SIRS vs Sepsis-3.

GitHub

skill-model-checker

benbrastmckie

Research and develop semantic theories using ModelChecker with Z3 SMT solver. Define operators, adjust frame constraints, create examples, run tests, and report findings. Invoke with /mc or when working with mo...

GitHub

skill-researcher

benbrastmckie

Conduct general research using web search, documentation, and codebase exploration. Invoke for non-Lean research tasks.

GitHub

skill-python-research

benbrastmckie

Research Python/Z3 patterns and APIs for semantic theory development. Invoke for Python-language research tasks.

GitHub

sampler

anirbansarkar-cs

Launch and manage D3 (DNA Discrete Diffusion) sampling experiments on SLURM clusters. This skill handles job submission, WandB tracking, and result management for genomic datasets (LentiMPRA, DeepSTARR, Promote...

GitHub

effect-regex

PaulJPhilp

Expert regex pattern generation, optimization, testing, and explanation using deterministic AST-based construction. Use when user needs to create, test, optimize, or understand regex patterns, parse CLI command...

GitHub

malware-report-writer

gl0bal01

Professional malware analysis report creation for enterprise malware analysis and incident response. Use when the user needs to create, structure, or improve a malware analysis report, write technical documenta...

GitHub

malware-triage

gl0bal01

Systematic malware triage and initial assessment workflow for professional malware analysis. Use when the user needs to perform initial malware assessment, classify samples, determine analysis priority, identif...

GitHub

detection-engineer

gl0bal01

Create detection rules and hunting queries from malware analysis findings. Use when you need to write Sigma rules for SIEM, Suricata rules for network IDS, defang IOCs for safe sharing, or convert analysis find...

GitHub

evaluation-harness

patricio0312rev

Builds repeatable evaluation systems with golden datasets, scoring rubrics, pass/fail thresholds, and regression reports. Use for "LLM evaluation", "testing AI systems", "quality assurance", or "model benchmark...

GitHub

threat-model-generator

patricio0312rev

Creates comprehensive threat models using STRIDE methodology with asset identification, threat enumeration, mitigation strategies, and residual risk assessment. Use for "threat modeling", "security analysis", "...

GitHub

structural-biology

justaddcoffee

Structural biology analysis including protein structure validation, AlphaFold interpretation, and structural comparisons

GitHub

check

lhl

Full Reality Check analysis - fetch source, perform 3-stage analysis, extract claims, register to database, and validate. The flagship command for rigorous source analysis.

GitHub

clinical-trial-matcher

mdbabumiamssm

Matches patient profiles to open clinical trials using vector similarity and inclusion/exclusion criteria. Use when a user provides patient data and asks for relevant trials.

GitHub

regulatory-drafter

mdbabumiamssm

Drafts regulatory documents (FDA, EMA) with audit trails and specific "Thinking Block" reasoning. Use for high-stakes compliance writing.

GitHub

crispr-designer

mdbabumiamssm

Designs guide RNA (gRNA) sequences for CRISPR-Cas9 editing, including off-target analysis. Use when a user needs to edit a gene or asks for gRNA sequences.

GitHub

chemcrow-tools

mdbabumiamssm

A production-grade cheminformatics toolkit for analyzing molecular properties, toxicity, and synthetic accessibility.

The default order uses GitHub repository stars from our indexed data. Stars belong to the source repository and may be shared by multiple skills. They indicate repository interest, not skill installs or an independent quality score.

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