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documentation scientific computing AI Skills

Discover documentation scientific computing skills, compare source repositories and read the instructions for each workflow.

Categories: documentation scientific computing

Showing 361–384 of 926

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GitHub

protein-structure

omer-metin

Patterns for protein structure prediction using AlphaFold2/ColabFold, structural analysis, model quality assessment, and integration with experimental data. Covers best practices and critical interpretation of...

GitHub

physics-simulation

omer-metin

Patterns for physics-based simulation including numerical integration, rigid body dynamics, fluid simulation, finite element methods, and multi-physics coupling. Covers accuracy, stability, and performance. Use...

GitHub

deep-research

liangdabiao

Conduct deep research on any topic using parallel subagents and web tools (web_search, web_fetch, playwright). Use for queries that require comprehensive research from multiple perspectives.

GitHub

research-subagent

liangdabiao

Internal skill - Research subagent that executes focused research tasks using web tools. Called automatically by the deep-research lead agent.

GitHub

research-ai-tools

omer-metin

Master the AI tools that accelerate research and information gathering. From market research to academic analysis, find insights faster and make better decisions. Use when "research, find information, academic...

GitHub

synthesize

TaylorHuston

Synthesize information across multiple sources into a structured document. Processes sources in batches across sessions to handle more data than fits in context. Discovers and queues related sources automatical...

GitHub

research

TaylorHuston

Deep research on a topic, creating persistent documentation for future reference. Use for technology decisions, competitive analysis, or complex topics.

GitHub

deep-researcher

Karanjot786

Performs comprehensive, multi-layered research on any topic with structured analysis and synthesis of information from multiple sources. Use when the user needs thorough investigation, market research, technica...

GitHub

load-data

uberdeveloper

Ultra-fast data discovery and loading skill for industrial finance datasets. Handles CSV, JSON, DuckDB, Parquet, and Feather with memory-efficient 2-step discovery and loading.

GitHub

benchling-integration

lifangda

Benchling R&D platform integration. Access registry (DNA, proteins), inventory, ELN entries, workflows via API, build Benchling Apps, query Data Warehouse, for lab data management automation.

GitHub

tooluniverse

lifangda

Use this skill when working with scientific research tools and workflows across bioinformatics, cheminformatics, genomics, structural biology, proteomics, and drug discovery. This skill provides access to 600+...

GitHub

aeon

lifangda

Time series machine learning toolkit for classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search. Use this skill when working with temporal data, performing t...

GitHub

biomni

lifangda

Autonomous biomedical AI agent framework for executing complex research tasks across genomics, drug discovery, molecular biology, and clinical analysis. Use this skill when conducting multi-step biomedical rese...

GitHub

pydeseq2

lifangda

Differential gene expression analysis (Python DESeq2). Identify DE genes from bulk RNA-seq counts, Wald tests, FDR correction, volcano/MA plots, for RNA-seq analysis.

GitHub

scvi-tools

lifangda

This skill should be used when working with single-cell omics data analysis using scvi-tools, including scRNA-seq, scATAC-seq, CITE-seq, spatial transcriptomics, and other single-cell modalities. Use this skill...

GitHub

neurokit2

lifangda

Comprehensive biosignal processing toolkit for analyzing physiological data including ECG, EEG, EDA, RSP, PPG, EMG, and EOG signals. Use this skill when processing cardiovascular signals, brain activity, electr...

GitHub

deepchem

lifangda

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

GitHub

biopython

lifangda

Primary Python toolkit for molecular biology. Preferred for Python-based PubMed/NCBI queries (Bio.Entrez), sequence manipulation, file parsing (FASTA, GenBank, FASTQ, PDB), advanced BLAST workflows, structures,...

GitHub

molfeat

lifangda

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

GitHub

cellxgene-census

lifangda

Query CZ CELLxGENE Census (61M+ cells). Filter by cell type/tissue/disease, retrieve expression data, integrate with scanpy/PyTorch, for population-scale single-cell analysis.

GitHub

pysam

lifangda

Genomic file toolkit. Read/write SAM/BAM/CRAM alignments, VCF/BCF variants, FASTA/FASTQ sequences, extract regions, calculate coverage, for NGS data processing pipelines.

GitHub

arboreto

lifangda

Gene regulatory network inference with GRNBoost2/GENIE3 algorithms. Infer TF-target relationships from expression data, scalable with Dask, for scRNA-seq and GRN analysis.

GitHub

torchdrug

lifangda

Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-b...

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.

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