scientific-computing
157
drugsda-rgroup-sampling
Generate new molecules sampling from the input scaffold.
InternScience
research
sorting
stars
current ordering strategy
query
all entries
refine the visible subset
scientific-computing
157
drugsda-denovo-sampling
Generate new molecules de novo.
InternScience
research
scientific-computing
157
drugsda-linker-sampling
Generate new molecules sampling from the input two warhead fragments.
InternScience
research
scientific-computing
157
drugsda-mol-properties
Calculate different types of molecular properties based on SMILES strings, covering basic physicochemical properties, hydrophobicity, hydrogen bonding capability, molecular complexity, topological structures, charge distribution, and custom complexity metrics, respectively.
InternScience
research
scientific-computing
157
drug-metabolism-study
Drug Metabolism Study - Study drug metabolism: FDA metabolism data, ChEMBL metabolism records, PubChem compound data, and clinical pharmacology. Use this skill for drug metabolism tasks involving get metabolism by id get pharmacokinetics by drug name get compound by name get clinical pharmacology by drug name. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
157
drugsda-data-valid
Check if the input protein sequence or molecule SMILES string is valid.
InternScience
research
scientific-computing
157
drugsda-mol2mol-sampling
Generate new molecules sampling from the input molecule.
InternScience
research
scientific-computing
157
organism-classification
Organism Classification & Database - Classify organism: NCBI taxonomy, Ensembl taxonomy, ChEMBL organisms, and genome info. Use this skill for taxonomy tasks involving get taxonomy get taxonomy id get organism by id get genome dataset report by taxon. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
157
protein-property-comparison
Cross-Species Protein Comparison - Compare proteins across species: get orthologs from NCBI, compute properties for each, and compare similarity. Use this skill for comparative biology tasks involving get gene orthologs calculate protein sequence properties calculate smiles similarity get homology id. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
157
drugsda-peptide-sampling
Generate new peptide molecules sampling from the input peptide sequence.
InternScience
research
scientific-computing
157
mouse-model-analysis
Mouse Model Disease Analysis - Analyze mouse disease models: MouseMine search, NCBI mouse gene data, Ensembl cross-species comparison, and orthologs. Use this skill for model organisms tasks involving mousemine search get gene metadata by gene name get homology symbol get gene orthologs. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
157
multiomics-integration
Multi-Omics Integration - Integrate multi-omics: gene expression, protein data, pathway enrichment, and metabolic pathways. Use this skill for multi-omics tasks involving get gene expression across cancers get uniprotkb entry by accession get functional enrichment kegg get. Combines 4 tools from 4 SCP server(s).
InternScience
research
scientific-computing
157
uniprot-protein-retrieval
Retrieve protein sequences and functional information from UniProt database by protein name, enabling protein analysis and bioinformatics workflows.
InternScience
research
scientific-computing
157
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.
Microck
research
scientific-computing
157
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.
Microck
research
scientific-computing
157
chembl-molecule-search
Search ChEMBL database for molecule information by name to retrieve bioactivity data and chemical structures.
InternScience
research
scientific-computing
157
aliphatic-ring-analysis
Ring System Analysis - Analyze ring systems: count aliphatic carbocycles, analyze aromaticity, compute topology, and structure complexity. Use this skill for organic chemistry tasks involving GetAliphaticCarbocyclesNum AromaticityAnalyzer calculate mol topology calculate mol structure complexity. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
157
mutation-impact-analysis
Mutation Impact Analysis - Analyze mutation impact: predict structure, predict mutations from sequence and structure, and check variant effects with Ensembl VEP. Use this skill for molecular biology tasks involving pred protein structure esmfold zero shot sequence prediction predict zero shot structure get vep hgvs. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
157
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.
Microck
research
scientific-computing
156
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.
lamm-mit
research
scientific-computing
156
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.
lamm-mit
research
scientific-computing
156
exploratory-data-analysis
Perform comprehensive exploratory data analysis on scientific data files across 200+ file formats. This skill should be used when analyzing any scientific data file to understand its structure, content, quality, and characteristics. Automatically detects file type and generates detailed markdown reports with format-specific analysis, quality metrics, and downstream analysis recommendations. Covers chemistry, bioinformatics, microscopy, spectroscopy, proteomics, metabolomics, and general scientific data formats.
lamm-mit
research
scientific-computing
156
etetoolkit
Phylogenetic tree toolkit (ETE). Tree manipulation (Newick/NHX), evolutionary event detection, orthology/paralogy, NCBI taxonomy, visualization (PDF/SVG), for phylogenomics.
lamm-mit
research