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
☆ 14View skill
business computational chemistry AI Skills
Discover business computational chemistry skills, compare source repositories and read the instructions for each workflow.
Categories: business computational chemistry
business computational chemistry Clear filters
Browse skills
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
☆ 14View skill
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...
☆ 14View skill
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
☆ 14View 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
☆ 14View skill
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...
☆ 14View skill
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
☆ 14View skill
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...
☆ 14View skill
GitHub
statistical-analyzer
Perform statistical hypothesis testing, regression analysis, ANOVA, and t-tests with plain-English interpretations and visualizations.
☆ 14View skill
GitHub
analyze-equations
Parse and interpret mathematical equations from research papers. Use when extracting formulas for implementation.
☆ 13View 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...
☆ 13View skill
GitHub
crispr-offtarget-predictor
Predicts potential off-target sites for a given sgRNA sequence using mismatch analysis.
☆ 13View skill
GitHub
drug-interaction-checker
Checks for potential drug-drug interactions (DDIs) between a list of medications.
☆ 13View skill
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...
☆ 12View 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...
☆ 12View skill
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...
☆ 12View skill
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...
☆ 12View skill
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...
☆ 12View skill
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.
☆ 12View skill
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.
☆ 12View skill
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.
☆ 12View skill
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.
☆ 12View skill
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.
☆ 12View skill
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.
☆ 12View skill
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.