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
☆ 14查看技能
tools computational chemistry AI 技能
发现 tools computational chemistry 相关 Skills，比较来源仓库和用途，查看适合你工作流的技能说明。
分类目录: tools computational chemistry
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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...
☆ 14查看技能
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
☆ 14查看技能
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...
☆ 14查看技能
GitHub
statistical-analyzer
Perform statistical hypothesis testing, regression analysis, ANOVA, and t-tests with plain-English interpretations and visualizations.
☆ 14查看技能
GitHub
analyze-equations
Parse and interpret mathematical equations from research papers. Use when extracting formulas for implementation.
☆ 13查看技能
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...
☆ 13查看技能
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...
☆ 12查看技能
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...
☆ 12查看技能
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...
☆ 12查看技能
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...
☆ 12查看技能
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...
☆ 12查看技能
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.
☆ 12查看技能
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.
☆ 12查看技能
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.
☆ 12查看技能
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.
☆ 12查看技能
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.
☆ 12查看技能
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.
☆ 12查看技能
GitHub
m4-research
Start a structured clinical research session. Triggers on "/research", "start research", "new study", "analyze cohort", "investigate hypothesis", "research question", or when users describe clinical research go...
☆ 12查看技能
GitHub
sofa-score
Calculate SOFA (Sequential Organ Failure Assessment) score for ICU patients in MIMIC-IV. Use for sepsis severity assessment, organ dysfunction quantification, mortality prediction, or Sepsis-3 criteria evaluati...
☆ 12查看技能
GitHub
first-icu-stay
Identify first ICU stays and first hospital admissions in MIMIC-IV for cohort selection. Use to exclude readmissions, create independent observations, or build adult patient cohorts.
☆ 12查看技能
GitHub
oasis-score
Calculate OASIS (Oxford Acute Severity of Illness Score) for ICU patients in MIMIC-IV. Use for mortality prediction with fewer variables than APACHE/SAPS, or when lab data is limited.
☆ 12查看技能
GitHub
kdigo-aki-staging
Calculate KDIGO AKI (Acute Kidney Injury) staging for ICU patients in MIMIC-IV using creatinine and urine output criteria. Use for nephrology research, AKI outcome studies, or renal function monitoring.
☆ 12查看技能
GitHub
baseline-creatinine
Estimate baseline serum creatinine for AKI assessment in MIMIC-IV. Use for KDIGO staging, AKI research, or renal function baseline establishment.
☆ 12查看技能
默认按已收录数据中的 GitHub 仓库 Stars 排序。Stars 属于来源仓库，同一仓库的多个技能可能共享相同数值；它反映仓库关注度，不代表单个技能的安装量或质量评分。