GitHub
reconnaissance
Systematic technology and market reconnaissance for extracting actionable intelligence from repositories, papers, and competitive landscapes.
☆ 20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
clonalstats
Generate comprehensive clonality statistics and diversity visualizations for TCR/BCR repertoire analysis. Quantifies clonal expansion, measures diversity metrics (Shannon, Simpson, Gini), and creates publicatio...
☆ 20查看技能
GitHub
cellcellcommunicationplots
Visualize cell-cell communication inference results from CellCellCommunication process. Creates publication-ready network diagrams, heatmaps, and interaction plots to help interpret ligand-receptor interactions...
☆ 20查看技能
GitHub
cdr3clustering
Cluster TCR/BCR clones by CDR3 sequences using GIANA or ClusTCR (both Faiss-based). Adds `CDR3_Cluster` column to metadata for clonotype analysis.
☆ 20查看技能
GitHub
immunopipe-config
Master skill for generating immunopipe pipeline configurations. Determines pipeline architecture based on data type (scRNA-seq with or without scTCR/BCR-seq) and analysis requirements. Routes to individual proc...
☆ 20查看技能
GitHub
modulescorecalculator
Configuration skill for immunopipe process
☆ 20查看技能
GitHub
hypothesis-testing
Guides scientific hypothesis development and testing methodology. Use when formulating research questions, developing testable hypotheses, designing experiments, or evaluating research approaches. Triggers on p...
☆ 18查看技能
GitHub
critical-analysis
Applies rigorous critical analysis to evaluate claims, arguments, and research. Use when evaluating evidence quality, peer reviewing content, assessing argument validity, or identifying weaknesses in reasoning....
☆ 18查看技能
GitHub
research-synthesis
Synthesizes research findings into coherent narratives with uncertainty quantification. Use when integrating findings from multiple sources, creating research summaries, drawing conclusions from evidence, or co...
☆ 18查看技能
GitHub
model-evaluation-benchmark
Automated reproduction of comprehensive model evaluation benchmarks following the Benchmark Suite V3. Auto-activates for model benchmarking, comparison evaluation, or performance testing between AI models.
☆ 16查看技能
GitHub
chemist-analyst
Analyzes events through chemistry lens using molecular structure, reaction mechanisms, thermodynamics, kinetics, and analytical techniques (spectroscopy, chromatography, mass spectrometry). Provides insights on...
☆ 16查看技能
GitHub
dqmc-parameter-scans
Set up systematic DQMC parameter studies across temperature, interaction strength U, or chemical potential mu. Use when doing temperature sweeps, phase diagram calculations, or any grid of simulations.
☆ 16查看技能
GitHub
dqmc-analyze
Extract physical observables with error estimates from completed DQMC simulations. Use when computing density, double occupancy, spin correlations, structure factors, or any measured quantity from simulation da...
☆ 16查看技能
GitHub
dqmc-advanced
Advanced DQMC features including unequal-time measurements, analytic continuation, and queue system internals. Use when enabling dynamical correlations, performing MaxEnt continuation, or understanding HDF5 dat...
☆ 16查看技能
GitHub
schema-mechanism
Drescher's computational theory of causal learning
☆ 15查看技能
GitHub
image-mining
I mine pixels for atoms. Reality is just compressed resources.
☆ 15查看技能
GitHub
mind-mirror
Personality modeling system based on Timothy Leary's 1985 software + The Sims traits
☆ 15查看技能
GitHub
causal-loop-microsim-generator
This skill generates interactive Causal Loop Diagram (CLD) MicroSims using the vis-network JavaScript library. Use this skill when users need to create causal loop diagrams for systems thinking education, showi...
☆ 14查看技能
GitHub
mcp-context-optimizer
Optimize MCP tool context loading through progressive disclosure and hierarchical indexing. Use when working with large MCP tool sets (e.g., Miyabi's 172 tools) to prevent context window bloat. Triggers include...
☆ 14查看技能
GitHub
market-research-and-competitive-analysis
TAM/SAM/SOM calculation, competitor analysis, and market trends identification. Use when analyzing markets, validating business ideas, or entering new markets.
☆ 14查看技能
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
☆ 14查看技能
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
☆ 14查看技能
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...
☆ 14查看技能
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
☆ 14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。