GitHub
claude-light
Expert assistant for conducting remote experiments with Claude-Light - a web-accessible RGB LED and spectral sensor instrument for statistics, regression, optimization, and design of experiments
☆ 14Voir le skill
Skills IA business computational chemistry
Découvrez les skills business computational chemistry, comparez leurs dépôts et consultez leurs instructions.
Catégories: business computational chemistry
business computational chemistry Effacer les filtres
Explorer
GitHub
vasp
Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations
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GitHub
pycalphad
Expert guidance for pycalphad - computational thermodynamics library implementing the CALPHAD method for calculating phase diagrams, phase equilibria, and thermodynamic properties of multicomponent materials sy...
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GitHub
python-ase
Expert assistance with the Atomic Simulation Environment (ASE) Python library for atomistic simulations, including structure building, calculator setup, optimization, dynamics, and analysis
☆ 14Voir le skill
GitHub
materials-databases
Expert assistant for accessing materials databases (AFLOW and Materials Project) - query crystal structures, materials properties, thermodynamic data, and computational results from comprehensive databases
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GitHub
materials-properties
Expert assistant for calculating materials properties from first-principles using ASE - structure relaxation, surface energies, adsorption, reaction barriers, phonons, elastic constants, and thermodynamic model...
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GitHub
fairchem
Expert guidance for Meta's FAIRChem library - machine learning methods for materials science and quantum chemistry using pretrained UMA models with ASE integration for fast, accurate predictions
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GitHub
powerful-framework
Applies the POWERFUL deal qualification framework to analyze sales opportunities. Use this skill when qualifying deals, assessing opportunity strength, identifying gaps in deal intelligence, or coaching sales t...
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GitHub
statistical-analyzer
Perform statistical hypothesis testing, regression analysis, ANOVA, and t-tests with plain-English interpretations and visualizations.
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GitHub
analyze-equations
Parse and interpret mathematical equations from research papers. Use when extracting formulas for implementation.
☆ 13Voir le skill
GitHub
model-compare
Compare 3D CAD models using boolean operations (IoU, Dice, precision/recall). Use when evaluating generated models against gold references, diffing CAD revisions, or computing similarity metrics for ML training...
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GitHub
crispr-offtarget-predictor
Predicts potential off-target sites for a given sgRNA sequence using mismatch analysis.
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GitHub
drug-interaction-checker
Checks for potential drug-drug interactions (DDIs) between a list of medications.
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GitHub
gcell-pathway
Pathway enrichment analysis using gcell. Use this skill when users ask about: - Gene set enrichment analysis - GO (Gene Ontology) enrichment - KEGG pathway analysis - Reactome pathway enrichment - Custom pathwa...
☆ 12Voir le skill
GitHub
gcell-chipatlas
ChIP-Atlas epigenome data query using gcell. Use this skill when users ask about: - Finding ChIP-seq, ATAC-seq, or DNase-seq experiments - Searching for transcription factor binding data - Finding histone modif...
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GitHub
gcell-celltype
Cell type regulatory analysis using gcell. Use this skill when users ask about: - Loading pre-inferred cell types (GET model outputs) - Gene-by-motif matrices showing TF influence on genes - Gene Jacobian analy...
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GitHub
gcell-causal
Causal network analysis using gcell. Use this skill when users ask about: - Inferring causal relationships from expression data - LiNGAM causal discovery algorithm - Regulatory network construction - Visualizin...
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GitHub
gcell-protein
Protein structure and interaction analysis using gcell. Use this skill when users ask about: - Protein sequences from gene names - AlphaFold2 structure predictions and pLDDT scores - UniProt protein information...
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GitHub
spar
adversarial review via spawned antithesis agent. use to prune false positives from EXISTING findings. NOT for discovery or when claim is verifiable against single source.
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GitHub
sapsii-score
Calculate SAPS-II (Simplified Acute Physiology Score II) for ICU patients in MIMIC-IV. Use for mortality prediction, severity assessment, or international ICU benchmarking.
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GitHub
vasopressor-equivalents
Calculate norepinephrine-equivalent dose for vasopressor comparison in MIMIC-IV. Use for hemodynamic support quantification, shock severity assessment, or vasopressor weaning studies.
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GitHub
lods-score
Calculate LODS (Logistic Organ Dysfunction Score) for ICU patients in MIMIC-IV. Use for organ dysfunction assessment across 6 systems with weighted scoring.
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GitHub
apsiii-score
Calculate APACHE III (Acute Physiology Score III) for ICU patients in MIMIC-IV. Use for mortality prediction, severity stratification, case-mix adjustment, or risk-adjusted outcome comparisons.
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GitHub
gcs-calculation
Extract and calculate Glasgow Coma Scale (GCS) for ICU patients in MIMIC-IV. Use for neurological assessment, consciousness monitoring, or trauma severity scoring.
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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.