GitHub
reactome-database
Query Reactome REST API for pathway analysis, enrichment, gene-pathway mapping, disease pathways, molecular interactions, expression analysis, for systems biology studies.
☆ 26Voir le skill
Skills IA tools scientific computing
Découvrez les skills tools scientific computing, comparez leurs dépôts et consultez leurs instructions.
Catégories: tools scientific computing
tools scientific computing Effacer les filtres
Explorer
GitHub
pytdc
Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.
☆ 26Voir le skill
GitHub
pdb-database
Access RCSB PDB for 3D protein/nucleic acid structures. Search by text/sequence/structure, download coordinates (PDB/mmCIF), retrieve metadata, for structural biology and drug discovery.
☆ 26Voir le skill
GitHub
scikit-bio
Biological data toolkit. Sequence analysis, alignments, phylogenetic trees, diversity metrics (alpha/beta, UniFrac), ordination (PCoA), PERMANOVA, FASTA/Newick I/O, for microbiome analysis.
☆ 26Voir le skill
GitHub
gget
CLI/Python toolkit for rapid bioinformatics queries. Preferred for quick BLAST searches. Access to 20+ databases: gene info (Ensembl/UniProt), AlphaFold, ARCHS4, Enrichr, OpenTargets, COSMIC, genome downloads....
☆ 26Voir le skill
GitHub
pubchem-database
Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.
☆ 26Voir le skill
GitHub
clinpgx-database
Access ClinPGx pharmacogenomics data (successor to PharmGKB). Query gene-drug interactions, CPIC guidelines, allele functions, for precision medicine and genotype-guided dosing decisions.
☆ 26Voir le skill
GitHub
esm
Comprehensive toolkit for protein language models including ESM3 (generative multimodal protein design across sequence, structure, and function) and ESM C (efficient protein embeddings and representations). Use...
☆ 26Voir le skill
GitHub
chembl-database
Query ChEMBL's bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
☆ 26Voir le skill
GitHub
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.
☆ 26Voir le skill
GitHub
dnanexus-integration
DNAnexus cloud genomics platform. Build apps/applets, manage data (upload/download), dxpy Python SDK, run workflows, FASTQ/BAM/VCF, for genomics pipeline development and execution.
☆ 26Voir le skill
GitHub
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.
☆ 26Voir le skill
GitHub
drugbank-database
Access and analyze comprehensive drug information from the DrugBank database including drug properties, interactions, targets, pathways, chemical structures, and pharmacology data. This skill should be used whe...
☆ 26Voir le skill
GitHub
research-lookup
Look up current research information using Perplexity's Sonar Pro or Sonar Reasoning Pro models through OpenRouter. Automatically selects the best model based on query complexity. Search academic papers, recent...
☆ 25Voir le skill
GitHub
research-analyst
Comprehensive research and synthesis agent specializing in multi-source information gathering, critical analysis, and integrated knowledge synthesis. Excels at complex research projects requiring systematic inv...
☆ 21Voir le skill
GitHub
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...
☆ 21Voir le skill
GitHub
mesh-generation
Plan and evaluate mesh generation for numerical simulations. Use when choosing grid resolution, checking aspect ratios/skewness, estimating mesh quality constraints, or planning adaptive mesh refinement for PDE...
☆ 21Voir le skill
GitHub
numerical-stability
Analyze and enforce numerical stability for time-dependent PDE simulations. Use when selecting time steps, choosing explicit/implicit schemes, diagnosing numerical blow-up, checking CFL/Fourier criteria, von Ne...
☆ 21Voir le skill
GitHub
differentiation-schemes
Select and apply numerical differentiation schemes for PDE/ODE discretization. Use when choosing finite difference/volume/spectral schemes, building stencils, handling boundaries, estimating truncation error, o...
☆ 21Voir le skill
GitHub
numerical-integration
Select and configure time integration methods for ODE/PDE simulations. Use when choosing explicit/implicit schemes, setting error tolerances, adapting time steps, diagnosing integration accuracy, planning IMEX...
☆ 21Voir le skill
GitHub
time-stepping
Plan and control time-step policies for simulations. Use when coupling CFL/physics limits with adaptive stepping, ramping initial transients, scheduling outputs/checkpoints, or planning restart strategies for l...
☆ 21Voir le skill
GitHub
drama-workflow
Coordinate plot point dramatic function analysis process, manage text preprocessing, parallel analysis, result integration. Suitable for plot point and dramatic function analysis of long texts, scenarios requir...
☆ 20Voir le skill
GitHub
research-workflow
Guide agents through structured research including planning, multi-query execution, source analysis, and synthesis. Use for comprehensive topic research, deep investigation, or creating research reports. Keywor...
☆ 20Voir le skill
GitHub
research
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.
☆ 20Voir le skill
Le classement utilise les étoiles du dépôt GitHub indexé. Plusieurs skills peuvent partager ce nombre : ce n’est ni un nombre d’installations ni une note de qualité.