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tools scientific computing AI Skills

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

Categories: tools scientific computing

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pyopenms

jackspace

Python interface to OpenMS for mass spectrometry data analysis. Use for LC-MS/MS proteomics and metabolomics workflows including file handling (mzML, mzXML, mzTab, FASTA, pepXML, protXML, mzIdentML), signal pro...

GitHub

hypogenic

jackspace

Automated hypothesis generation and testing using large language models. Use this skill when generating scientific hypotheses from datasets, combining literature insights with empirical data, testing hypotheses...

GitHub

understand

agoodway

Multi-specialist collaborative analysis to understand how features, functions, or components work

GitHub

biomni

Blurjp

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

research

jwynia

Diagnose research quality and guide systematic query expansion. Use when starting research on any topic, when stuck in research, or when unsure if research is complete.

GitHub

healthsim-membersim

mark64oswald

MemberSim generates realistic synthetic claims and payer data for testing claims processing systems, payment integrity, and benefits administration.

GitHub

healthsim-trialsim

mark64oswald

Generate realistic clinical trial synthetic data including study definitions, sites, subjects, visits, adverse events, efficacy assessments, and disposition. Use when user requests: clinical trial data, CDISC/S...

GitHub

running-clustering-algorithms

BbgnsurfTech

Execute clustering algorithms (K-means, DBSCAN, hierarchical) to identify data groups. Use when requesting "run clustering", "cluster analysis", or "group data points".

GitHub

splitting-datasets

BbgnsurfTech

Split datasets into training, validation, and testing sets for ML model development. Use when requesting "split dataset", "train-test split", or "data partitioning".

GitHub

detecting-memory-leaks

BbgnsurfTech

Detect potential memory leaks and analyze memory usage patterns in code. Use when troubleshooting performance issues related to memory growth or identifying leak sources. Trigger with phrases like "detect memor...

GitHub

berdl

kbaseincubator

Query the KBase BERDL (BER Data Lakehouse) pangenome database. Use when the user asks to explore pangenome data, query species information, get genome statistics, analyze gene clusters, or access functional ann...

GitHub

orcaflex-batch-manager

vamseeachanta

Manage large-scale OrcaFlex batch processing with parallel execution, adaptive worker scaling, memory optimization, and progress tracking for efficient simulation campaigns.

GitHub

gmsh-meshing

vamseeachanta

Specialized AI agent for finite element mesh generation and manipulation using GMSH. Use for 1D/2D/3D mesh generation, geometry processing, quality assessment, optimization, and integration with OrcaFlex, ANSYS...

GitHub

orcaflex-results-comparison

vamseeachanta

Compare results across multiple OrcaFlex simulations for design verification, sensitivity studies, and configuration comparison. Includes pretension, stiffness, and force distribution analysis.

GitHub

orcawave-aqwa-benchmark

vamseeachanta

Cross-validation specialist for comparing OrcaWave and AQWA diffraction analysis results. Provides statistical comparison, peak value validation, and automated benchmark reporting for hydrodynamic coefficient v...

GitHub

orcaflex-post-processing

vamseeachanta

Post-process OrcaFlex simulation results using OPP (OrcaFlex Post-Process). Use for extracting summary statistics, linked statistics, range graphs, time series, histograms, and generating interactive HTML repor...

GitHub

orcaflex-visualization

vamseeachanta

Generate visualizations from OrcaFlex simulations including model views, time series plots, range graphs, and interactive HTML reports using Plotly for comprehensive analysis presentation.

GitHub

signal-analysis

vamseeachanta

Perform signal processing, rainflow cycle counting, and spectral analysis for fatigue and time series data. Use for analyzing stress time histories, computing FFT/PSD, extracting fatigue cycles (ASTM E1049-85),...

GitHub

orcaflex-file-conversion

vamseeachanta

Convert OrcaFlex files between formats (.dat, .yml, .sim) for digital analysis and automation. Supports bidirectional conversion, batch processing, and format standardization.

GitHub

particles-physics

Bbeierle12

Physics simulation for particle systems—forces (gravity, wind, drag), attractors/repulsors, velocity fields, turbulence, and collision. Use when particles need realistic or artistic motion, swarm behavior, or f...

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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