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Skills IA tools computational chemistry

Découvrez les skills tools computational chemistry, comparez leurs dépôts et consultez leurs instructions.

Catégories: tools computational chemistry

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GitHub

paper-reviewer

astoreyai

Comprehensive pre-submission review orchestrator. Coordinates methodology checks, bias detection, AI text detection, statistical validation, and reporting guideline compliance for journal submissions.

GitHub

risk-assessment

brainupgrade-in

Evaluates investment risks, performs Monte Carlo simulations, and generates risk reports. Use when analyzing portfolio risk, stress testing, or regulatory compliance.

GitHub

chemistry-skill

AmaiDonatsu

Provides a deep understanding of chemistry through a technical-philosophical approach, for research and education tasks. In research tasks, you will use technical and logical understanding of the subtopics of t...

GitHub

validate-cave

DrSatsuma1

Test speleothem earthquake detection against modern earthquake catalogs. Use when validating methodology, checking if cave detects known earthquakes, building validation matrix. Triggers on "validate cave", "te...

GitHub

volcanic-check

DrSatsuma1

Check if a speleothem anomaly correlates with volcanic eruptions. Use when ruling out volcanic false positives, checking eVolv2k/VSSI records, or validating seismic interpretations. Triggers on "volcanic check"...

GitHub

tidy-itc-workflow

choxos

Master tidy modelling patterns for ITC analyses following TMwR principles. Covers workflow structure, consistent interfaces, reproducibility best practices, and data validation. Use when setting up ITC analysis...

GitHub

ml-nmr-methodology

choxos

Deep methodology knowledge for ML-NMR including IPD/AgD integration, population adjustment, numerical integration, and prediction to target populations. Use when conducting or reviewing ML-NMR analyses.

GitHub

biometric-intelligence

meeezus

Uses Oura ring data to make energy-aware decisions about scheduling, task prioritization, and recovery recommendations. Understands HRV, sleep quality, readiness scores, and their implications for productivity.

GitHub

goodrx

Andrejones92

Compare drug prices with GoodRx - find medication discounts, compare pharmacy prices, and access coupons

GitHub

life-sciences-connector

dredd-us

Query PubMed and scientific databases for protocols, analyze biological data with Biopython, handle HIPAA-compliant data. Use for biology research, protocol searches, sequence analysis, or scientific data handl...

GitHub

sfh-sim

toneron2

Run acoustic simulations on horn geometries using BEM analysis. Use when evaluating horn performance, analyzing impedance curves, calculating polar patterns, or scoring geometry variations. Returns acoustic met...

GitHub

writer

sxg

Draft scientific research manuscripts from research data. Use when user wants to write a research paper, has a project folder with papers, data, figures, and a GitHub repository link. Orchestrates context-inges...

GitHub

review

sxg

Review and critique a scientific manuscript, identifying critical issues with detailed explanations and recommendations. Produces a structured review with accept/revise/reject recommendation.

GitHub

quick-screen

babdulhakim2

Perform rapid initial screening using only sanctions, PEP, and adverse media checks for quick risk assessment

GitHub

sanctions-check

babdulhakim2

Screen entities against OFAC SDN, UN, EU, and other sanctions lists to identify compliance risks and regulatory violations

GitHub

cass-memory

eaasxt

Cross-agent learning with cm (cass-memory). Use before starting non-trivial tasks, when looking for patterns from past work, when the user mentions "cm", "memory", "learned rules", or "what do we know about".

GitHub

bio-fasta

dakesan

Read/write FASTA, GenBank, FASTQ files. Sequence manipulation (complement, translate). Indexed random access via faidx. For NGS pipelines (SAM/BAM/VCF), use pysam. For BLAST, use gget or blat-integration.

GitHub

bio-blast

dakesan

NCBI BLAST sequence similarity search using BioPython. Use when a user wants to run BLAST programmatically with blastn/blastp and retrieve results in JSON format.

GitHub

tech-doc-reviewer

krhrtky

Expert technical document reviewer. PROACTIVELY review ADRs, Design Docs, and RFCs for quality, completeness, and principle alignment after creating or updating technical documents.

GitHub

pacer-classifier

az9713

Classifies information into PACER categories (Procedural, Analogous, Conceptual, Evidence, Reference) and recommends appropriate digestion protocols. Use when learning new material, studying, reading educationa...

GitHub

mindwork-analyze

tolgaio

Analyze therapy session transcripts or journal entries. Identifies cognitive patterns, emotional themes, and tracks progress over time. Automatically references recent analyses for context. Use for session anal...

GitHub

unsloth-orpo

cuba6112

One-step preference alignment using Odds Ratio Preference Optimization (ORPO) (triggers: ORPO, preference optimization, alignment, ORPOTrainer, log_odds_ratio, binary preference).

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.

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