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Science Comp.

Simulation and numerical analysis.

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scientific-computing
12

biopython

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, phylogenetics. For quick BLAST, use gget. For direct REST API, use pubmed-database.

Supraforge
Supraforge
research
open
scientific-computing
12

cobrapy

Constraint-based metabolic modeling (COBRA). FBA, FVA, gene knockouts, flux sampling, SBML models, for systems biology and metabolic engineering analysis.

Supraforge
Supraforge
research
open
scientific-computing
12

cosmic-database

Access COSMIC cancer mutation database. Query somatic mutations, Cancer Gene Census, mutational signatures, gene fusions, for cancer research and precision oncology. Requires authentication.

Supraforge
Supraforge
research
open
scientific-computing
12

deeptools

NGS analysis toolkit. BAM to bigWig conversion, QC (correlation, PCA, fingerprints), heatmaps/profiles (TSS, peaks), for ChIP-seq, RNA-seq, ATAC-seq visualization.

Supraforge
Supraforge
research
open
scientific-computing
12

fluidsim

Framework for computational fluid dynamics simulations using Python. Use when running fluid dynamics simulations including Navier-Stokes equations (2D/3D), shallow water equations, stratified flows, or when analyzing turbulence, vortex dynamics, or geophysical flows. Provides pseudospectral methods with FFT, HPC support, and comprehensive output analysis.

Supraforge
Supraforge
research
open
scientific-computing
12

tooluniverse

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+ scientific tools including machine learning models, datasets, APIs, and analysis packages. Use when searching for scientific tools, executing computational biology workflows, composing multi-step research pipelines, accessing databases like OpenTargets/PubChem/UniProt/PDB/ChEMBL, performing tool discovery for research tasks, or integrating scientific computational resources into LLM workflows.

Supraforge
Supraforge
research
open
scientific-computing
12

claude-praetorian

Cross-session memory — save insights after research, restore prior context before planning or research. Restore first, compact second.

Vvkmnn
Vvkmnn
research
open
scientific-computing
12

berdl

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

kbaseincubator
kbaseincubator
research
open
scientific-computing
12

pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

Supraforge
Supraforge
research
open
scientific-computing
12

data-conventions

Data format conventions for datasets and plmodules

scaling-group
scaling-group
research
open
scientific-computing
12

pyopenms

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 processing, feature detection, peptide identification, and quantitative analysis. Apply when working with mass spectrometry data, analyzing proteomics experiments, or processing metabolomics datasets.

Supraforge
Supraforge
research
open
scientific-computing
12

neurokit2

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, electrodermal responses, respiratory patterns, muscle activity, or eye movements. Applicable for heart rate variability analysis, event-related potentials, complexity measures, autonomic nervous system assessment, psychophysiology research, and multi-modal physiological signal integration.

Supraforge
Supraforge
research
open
scientific-computing
12

matchms

Mass spectrometry analysis. Process mzML/MGF/MSP, spectral similarity (cosine, modified cosine), metadata harmonization, compound ID, for metabolomics and MS data processing.

Supraforge
Supraforge
research
open
scientific-computing
12

hmdb-database

Access Human Metabolome Database (220K+ metabolites). Search by name/ID/structure, retrieve chemical properties, biomarker data, NMR/MS spectra, pathways, for metabolomics and identification.

Supraforge
Supraforge
research
open
scientific-computing
12

flowio

Parse FCS (Flow Cytometry Standard) files v2.0-3.1. Extract events as NumPy arrays, read metadata/channels, convert to CSV/DataFrame, for flow cytometry data preprocessing.

Supraforge
Supraforge
research
open
scientific-computing
11

report-generator

Generate professional drug discovery reports including target dossiers, competitive briefs, and Go/No-Go decision summaries. Use this skill when you need formatted reports for presentations, decision meetings, or documentation. Supports multiple output formats. Keywords: report, dossier, decision, go-no-go, brief, presentation

huifer
huifer
research
open
scientific-computing
11

pipeline-tracker

Global drug development pipeline tracking by disease, target, mechanism, or company. Use for competitive intelligence, opportunity identification, and trend analysis. Keywords: pipeline, drug development, clinical trials, R&D tracking, competitive landscape

huifer
huifer
research
open
scientific-computing
11

detecting-memory-leaks

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 memory leaks", "analyze memory usage", or "find memory issues".

BbgnsurfTech
BbgnsurfTech
research
open
scientific-computing
11

splitting-datasets

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

BbgnsurfTech
BbgnsurfTech
research
open
scientific-computing
11

running-clustering-algorithms

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

BbgnsurfTech
BbgnsurfTech
research
open
scientific-computing
11

skill-python-research

Research Python/Z3 patterns and APIs for semantic theory development. Invoke for Python-language research tasks.

benbrastmckie
benbrastmckie
research
open
scientific-computing
11

skill-researcher

Conduct general research using web search, documentation, and codebase exploration. Invoke for non-Lean research tasks.

benbrastmckie
benbrastmckie
research
open
scientific-computing
11

deep-research

Deep research on technical topics using EXA tools with intelligent two-tier caching. Use when user asks to research a topic, investigate best practices, look up information, find patterns, or explore architectures. Also invoked by /research command. Triggers: "research", "look up", "investigate", "deep dive", "find information about", "what are best practices for", "how do others implement".

joaquimscosta
joaquimscosta
research
open
scientific-computing
11

analyze-equations

Parse and interpret mathematical equations from research papers. Use when extracting formulas for implementation.

mvillmow
mvillmow
research
open
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