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Science Comp.

Simulation and numerical analysis.

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scientific-computing
21

scientific-papers-to-dataset

Build structured datasets from academic papers. Use when the user wants to extract structured data from scientific literature, traverse citation graphs, search OpenAlex for papers, or create datasets from PDFs for research purposes.

eamag
eamag
research
open
scientific-computing
21

cdr3clustering

Cluster TCR/BCR clones by CDR3 sequences using GIANA or ClusTCR (both Faiss-based). Adds `CDR3_Cluster` column to metadata for clonotype analysis.

pwwang
pwwang
research
open
scientific-computing
21

andes

Progressive-disclosure workflow for ANDES studies. Use when the user asks to run ANDES through PowerMCP for power flow, small-signal stability, or time-domain simulation, and when the agent should expose base-case steps before advanced dynamic analysis.

Power-Agent
Power-Agent
research
open
scientific-computing
21

topol-vary

改变某些原子之间的结构参数,进行拉伸、弯曲、旋转等操作

golab-ai
golab-ai
research
open
scientific-computing
21

moldgen-3d-mesh

Work with 3D mesh processing in MoldGen. Use when implementing geometry algorithms, mesh operations, mold building, orientation analysis, parting surfaces, or GPU kernels.

S0mbraD
S0mbraD
research
open
scientific-computing
21

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 between cell types.

pwwang
pwwang
research
open
scientific-computing
21

topol-measure

测量任一原子间的结构参数,如长度、角度、二面角

golab-ai
golab-ai
research
open
scientific-computing
21

metabolicfeatures

Performs enrichment analysis (GSEA-based) for metabolic pathways across different cell groups to identify significantly enriched pathways. Uses fast gene set enrichment analysis (fgsea package) to rank pathways by their association with specific clusters, conditions, or cell states. Generates summary plots and enrichment visualizations for biological interpretation.

pwwang
pwwang
research
open
scientific-computing
21

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 process skills for detailed configuration. Use this skill when starting a new immunopipe configuration or modifying pipeline-level options.

pwwang
pwwang
research
open
scientific-computing
21

clonalstats

Generate comprehensive clonality statistics and diversity visualizations for TCR/BCR repertoire analysis. Quantifies clonal expansion, measures diversity metrics (Shannon, Simpson, Gini), and creates publication-ready plots.

pwwang
pwwang
research
open
scientific-computing
21

prepare-protein

对蛋白pdb文件,进行预处理,对N、C端进行封端,对特定残基进行离子化,弥补缺失的原子等。得到准备好的pdb文件

golab-ai
golab-ai
research
open
scientific-computing
21

seuratmap2ref

Map query single-cell datasets to high-quality reference atlases using Seurat's reference mapping workflow. Performs label transfer, UMAP projection, and integration with reference annotations without modifying query expression data. Enables transfer learning from curated atlases like Azimuth PBMC or custom tissue-specific references.

pwwang
pwwang
research
open
scientific-computing
21

prepare-mutation

将蛋白中某个氨基酸(残基)突变成另一种氨基酸

golab-ai
golab-ai
research
open
scientific-computing
21

imaging-data-commons

Query and download public cancer imaging data from NCI Imaging Data Commons using idc-index. Use for accessing large-scale radiology (CT, MR, PET) and pathology datasets for AI training or research. No authentication required. Query by metadata, visualize in browser, check licenses.

ImagingDataCommons
ImagingDataCommons
research
open
scientific-computing
21

opendss

Progressive-disclosure workflow for OpenDSS feeder studies. Use when the user asks to compile a DSS model, solve a distribution circuit, inspect feeder voltages or power, run load multipliers, or perform daily or harmonic studies through PowerMCP, with base-case checks before advanced scenarios.

Power-Agent
Power-Agent
research
open
scientific-computing
21

denovo-generation

This skill is used to perform de novo molecule generation basd on a given protein and a coordinate of center of pocket.

golab-ai
golab-ai
research
open
scientific-computing
21

mm-scan

利用力场,对分子的所有可旋转键(torsion)进行势能面扫描,得到torsion的势能面曲线

golab-ai
golab-ai
research
open
scientific-computing
21

scfgsea

Performs fast Gene Set Enrichment Analysis (GSEA) on single-cell data using fgsea R package. Identifies enriched biological pathways by ranking genes based on differential expression between cell groups. Generates enrichment scores, significance metrics, and publication-ready visualizations.

pwwang
pwwang
research
open
scientific-computing
21

simulation-property-td

模拟计算液相的热传导系数(thermal conductivity),多分子堆积成液相盒子,在NPT系综下进行分子动力学(molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式

golab-ai
golab-ai
research
open
scientific-computing
21

simulation-property-kt

模拟计算液相的压缩系数(isothermal compressibility),多分子堆积成液相盒子,在NPT系综下进行分子动力学(molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式

golab-ai
golab-ai
research
open
scientific-computing
21

simulation-property-ap

模拟计算液相的热膨胀系数(coefficient of thermal expansion),多分子堆积成液相盒子,在NPT系综下进行分子动力学(molecule dynamics, MD)计算。分子输入的格式可以是.sdf, .mol, .csv以及smiles等多种格式

golab-ai
golab-ai
research
open
scientific-computing
20

memory-documentary

Generate evidence-based documentary reports by searching across all 4 memory systems (Claude-Mem, Forgetful, Serena, DeepWiki), .agents/ artifacts, and GitHub issues. Produces investigative journalism-style analysis with full citation chains.

rjmurillo
rjmurillo
research
open
scientific-computing
20

research-patterns

4-phase research methodology: codebase recon, targeted web search, deep source analysis, and evidence synthesis. Use when investigating patterns, evaluating libraries, or analyzing best practices. TRIGGER when: research, investigate, evaluate options, compare libraries. DO NOT TRIGGER when: implementation tasks, bug fixes, routine code changes.

akaszubski
akaszubski
research
open
scientific-computing
20

simpy-discrete-event

Use this Skill for discrete-event simulation with SimPy: M/M/c queues, manufacturing lines, resource contention, and confidence intervals via replications.

xjtulyc
xjtulyc
research
open
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