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Scientific computing and academic tools.

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astronomy-physics
1

wave-theory

Ocean wave theory including wave spectra, statistics, irregular seas, and wave transformation for offshore engineering

vamseeachanta
vamseeachanta
research
open
astronomy-physics
1

lead-gen-calculator

Multi-step calculator UI for Astro. Quote tools, pricing calculators. Uses astro-forms for backend.

Soborbo
Soborbo
research
open
astronomy-physics
1

parsing-basin-models

Parses HEC-HMS basin model files (.basin) to extract and modify subbasins, junctions, reaches, loss parameters, transform parameters, baseflow, and routing. Use when reading basin files, modifying hydrologic parameters, analyzing basin structure, or updating curve numbers, lag times, and routing coefficients. Handles clone workflows for QAQC. Trigger keywords: basin file, subbasin, junction, reach, loss method, curve number, transform, lag time, baseflow, routing, Muskingum, parse basin, get parameters.

gpt-cmdr
gpt-cmdr
research
open
astronomy-physics
1

arcgis-imagery

Work with raster and imagery data including ImageryLayer, ImageryTileLayer, multidimensional data, pixel filtering, and raster analysis. Use for satellite imagery, elevation data, and scientific raster datasets.

SaschaBrunnerCH
SaschaBrunnerCH
research
open
astronomy-physics
1

starmap-manager

Manage starmap data assets for Stapledons Voyage. Use when downloading star catalogs, galactic backgrounds, or processing astronomical data. (project)

sunholo-data
sunholo-data
research
open
astronomy-physics
1

updating-met-models

Updates HEC-HMS meteorologic model files (.met) including precipitation methods, gage assignments, evapotranspiration, and Atlas 14 frequency storms. Use when configuring precipitation, assigning gages to subbasins, updating TP40 to Atlas 14, or modifying ET methods. Handles clone workflows for QAQC comparison. Trigger keywords: met model, precipitation, gage assignment, Atlas 14, TP40, frequency storm, evapotranspiration, ET, meteorologic model, update precip.

gpt-cmdr
gpt-cmdr
research
open
astronomy-physics
1

arcgis-coordinates-projection

Work with coordinate systems, projections, and coordinate conversion. Use for transforming coordinates and displaying position in multiple formats.

SaschaBrunnerCH
SaschaBrunnerCH
research
open
astronomy-physics
1

netcdf-metadata

Extract and analyze metadata from NetCDF files. Use this skill when working with NetCDF (.nc) or CDL (.cdl) files to extract variable information, dimensions, attributes, and data types to CSV format for documentation and analysis.

bioepic-data
bioepic-data
research
open
astronomy-physics
1

era5-download

Download ERA5 climate reanalysis data from the Copernicus Climate Data Store using cdsapi. Use this skill when users request ERA5 data, climate forcing data, meteorological variables, or need to download atmospheric/land surface data for ecosystem modeling, climate analysis, or model validation.

bioepic-data
bioepic-data
research
open
scientific-computing
1

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.

hxk622
hxk622
research
open
scientific-computing
1

clinvar-database

Query NCBI ClinVar for variant clinical significance. Search by gene/position, interpret pathogenicity classifications, access via E-utilities API or FTP, annotate VCFs, for genomic medicine.

hxk622
hxk622
research
open
scientific-computing
1

diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

hxk622
hxk622
research
open
scientific-computing
1

rowan

Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Use when tasks involve quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural network potentials (AIMNet2), protein-ligand binding predictions, or automated computational chemistry pipelines. Provides cloud compute resources with no local setup required.

hxk622
hxk622
research
open
scientific-computing
1

gget

Fast CLI/Python queries to 20+ bioinformatics databases. Use for quick lookups: gene info, BLAST searches, AlphaFold structures, enrichment analysis. Best for interactive exploration, simple queries. For batch processing or advanced BLAST use biopython; for multi-database Python workflows use bioservices.

hxk622
hxk622
research
open
scientific-computing
1

cellxgene-census

Query the CELLxGENE Census (61M+ cells) programmatically. Use when you need expression data across tissues, diseases, or cell types from the largest curated single-cell atlas. Best for population-scale queries, reference atlas comparisons. For analyzing your own data use scanpy or scvi-tools.

hxk622
hxk622
research
open
scientific-computing
1

ensembl-database

Query Ensembl genome database REST API for 250+ species. Gene lookups, sequence retrieval, variant analysis, comparative genomics, orthologs, VEP predictions, for genomic research.

hxk622
hxk622
research
open
scientific-computing
1

biopython

Comprehensive molecular biology toolkit. Use for sequence manipulation, file parsing (FASTA/GenBank/PDB), phylogenetics, and programmatic NCBI/PubMed access (Bio.Entrez). Best for batch processing, custom bioinformatics pipelines, BLAST automation. For quick lookups use gget; for multi-service integration use bioservices.

hxk622
hxk622
research
open
scientific-computing
1

geo-database

Access NCBI GEO for gene expression/genomics data. Search/download microarray and RNA-seq datasets (GSE, GSM, GPL), retrieve SOFT/Matrix files, for transcriptomics and expression analysis.

hxk622
hxk622
research
open
scientific-computing
1

go-db-query

Skills for querying Gene Ontology annotation databases in DuckDB format. Use this for queries about GO annotations, genes, terms, evidence codes, or taxonomic relationships in GO-DB databases (db/*.ddb files). Particularly useful for hierarchical queries using closure tables to find genes annotated to terms and their descendants.

cmungall
cmungall
research
open
bioinformatics
1

etetoolkit

Phylogenetic tree toolkit (ETE). Tree manipulation (Newick/NHX), evolutionary event detection, orthology/paralogy, NCBI taxonomy, visualization (PDF/SVG), for phylogenomics.

hxk622
hxk622
research
open
bioinformatics
1

asymptotic-theory

M-estimation, influence functions, and semiparametric efficiency theory for causal inference

Data-Wise
Data-Wise
research
open
scientific-computing
1

pytdc

Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.

hxk622
hxk622
research
open
scientific-computing
1

opentargets-database

Query Open Targets Platform for target-disease associations, drug target discovery, tractability/safety data, genetics/omics evidence, known drugs, for therapeutic target identification.

hxk622
hxk622
research
open
scientific-computing
1

chembl-database

Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.

hxk622
hxk622
research
open
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