agentleFS
dailycafidailycafi/metabolism-skills/skills/pathway-analysis/bioservices/SKILL.md

bioservices

Skill7 starsChanged 7 months agoMITView on GitHub

Query 40+ bioinformatics databases (KEGG, UniProt, ChEMBL, Reactome, ChEBI) from Python with a unified API via bioservices. Use when: user needs to map metabolite IDs across databases, query KEGG pathways/reactions programmatically, retrieve enzyme data from UniProt, search ChEMBL for bioactive compounds, or cross-reference identifiers. Triggers: bioservices, KEGG API, Reactome API, ChEBI lookup, UniProt query, cross-database ID mapping, metabolite ID conversion, enzyme lookup, compound-target interaction, pathway query from Python.

  • Installs packages

14 other projects use a version of this, 12 of them edited.

Adopted by

Most recently taken up by

Used with

Projects with it also use database-lookup, usfiscaldata and 10 more.

Other files people use alongside this one.

Files found in the same public projects as a version of this one, more often than they turn up anywhere else. Each project counts once, large collections count for less, and this file's own repository is left out.
  • uppifyagencySkill

    database-lookup

    Search 78 public scientific, biomedical, materials science, and economic databases via REST APIs. Covers physics/astronomy (NASA, NIST, SDSS, SIMBAD), earth/environment (USGS, NOAA, EPA), chemistry/drugs (PubChem, ChEMBL, DrugBank, FDA, KEGG, ZINC, BindingDB), materials (Materials Project, COD), biology/genomics (Reactome, UniProt, STRING, Ensembl, NCBI Gene, GEO, GTEx, PDB, AlphaFold, InterPro, BioGRID, Gene Ontology, dbSNP, gnomAD, ENCODE, Human Protein Atlas, Human Cell Atlas), disease/clinical (COSMIC, Open Targets, ClinicalTrials.gov, OMIM, ClinVar, GDC/TCGA, cBioPortal, DisGeNET, GWAS Catalog), regulatory (FDA, USPTO, SEC EDGAR), economics/finance (FRED, World Bank, US Treasury), demographics (US Census, Eurostat, WHO). Use when looking up compounds, genes, proteins, pathways, variants, clinical trials, patents, economic indicators, or any public database API query.

    Also in 5 projects that use this

  • yf8578Skill

    usfiscaldata

    Query the U.S. Treasury Fiscal Data API for federal financial data including national debt, government spending, revenue, interest rates, exchange rates, and savings bonds. Access 54 datasets and 182 data tables with no API key required. Use when working with U.S. federal fiscal data, national debt tracking (Debt to the Penny), Daily Treasury Statements, Monthly Treasury Statements, Treasury securities auctions, interest rates on Treasury securities, foreign exchange rates, savings bonds, or any U.S. government financial statistics.

    Also in 7 projects that use this

  • tondevrelSkill

    simpy

    A process-based discrete-event simulation framework. Use for modeling queuing systems, supply chains, manufacturing processes, network simulation, project management, and any system where events occur at specific points in time. Load when working with discrete event simulation, process modeling, resource allocation, virtual time, simpy.Environment, simpy.Resource, or event-driven simulation.

    Also in 7 projects that use this

  • ashrafkahoush-uxSkill

    what-if-oracle

    Run structured What-If scenario analysis with multi-branch possibility exploration. Use this skill when the user asks speculative questions like "what if...", "what would happen if...", "what are the possibilities", "explore scenarios", "scenario analysis", "possibility space", "what could go wrong", "best case / worst case", "risk analysis", "contingency planning", "strategic options", or any question about uncertain futures. Also trigger when the user faces a fork-in-the-road decision, wants to stress-test an idea, or needs to think through consequences before committing.

    Also in 7 projects that use this

  • tondevrelSkill

    scikit-bio

    Library for bioinformatics and community ecology statistics. Provides data structures and algorithms for sequences, alignments, phylogenetics, and diversity analysis. Essential for microbiome research and ecological data science. Use for alpha/beta diversity metrics, ordination (PCoA), phylogenetic trees, sequence manipulation (DNA/RNA/Protein), distance matrices, PERMANOVA, and community ecology analysis.

    Also in 8 projects that use this

  • Hongyu-yuSkill

    torch-geometric

    Graph Neural Networks (PyG). Node/graph classification, link prediction, GCN, GAT, GraphSAGE, heterogeneous graphs, molecular property prediction, for geometric deep learning.

    Also in 8 projects that use this

The file

We split this skill into the rules it gives an agent

6 rules. 6 are common, 0 are distinctive, and 0 are very specific to this project.

  • 6

    Common

    Most of the 14 edited versions we read keep these.

  • 0

    Distinctive

    This author's own choices. Worth a look.

  • 0

    Very specific

    Tied to their project's names, files or tools. Probably skip.

  • Common
  • Distinctive
  • Very specific
  1. Common:

    Search and cross-reference compounds across multiple databases:

    line 101
  2. Common:

    Search compound by name in KEGG

    line 120
  3. Common:

    Use UniChem for KEGG → ChEMBL mapping

    line 122
  4. Common:

    Run BLAST searches and sequence alignments:

    line 129
  5. Common:

    All pathway IDs for organism

    line 245
  6. Common:

    Use standard organism abbreviations:

    line 309

“Common” is measured: kept by at least 6 in 10 of the 14 edited versions of this file we could read. “Very specific” is our guess from the words: it names a file, a command, a setting or the project itself.

Keep what fits and drop the rest. Your version, ready for your agents.
Files
SKILL.md

BioServices

Overview

BioServices is a Python package providing programmatic access to approximately 40 bioinformatics web services and databases. Retrieve biological data, perform cross-database queries, map identifiers, analyze sequences, and integrate multiple biological resources in Python workflows. The package handles both REST and SOAP/WSDL protocols transparently.

When to Use This Skill

This skill should be used when:

  • Retrieving protein sequences, annotations, or structures from UniProt, PDB, Pfam
  • Analyzing metabolic pathways and gene functions via KEGG or Reactome
  • Searching compound databases (ChEBI, ChEMBL, PubChem) for chemical information
  • Converting identifiers between different biological databases (KEGG↔UniProt, compound IDs)
  • Running sequence similarity searches (BLAST, MUSCLE alignment)
  • Querying gene ontology terms (QuickGO, GO annotations)
  • Accessing protein-protein interaction data (PSICQUIC, IntactComplex)
  • Mining genomic data (BioMart, ArrayExpress, ENA)
  • Integrating data from multiple bioinformatics resources in a single workflow

Core Capabilities

1. Protein Analysis

Retrieve protein information, sequences, and functional annotations:

from bioservices import UniProt

u = UniProt(verbose=False)

# Search for protein by name
results = u.search("ZAP70_HUMAN", frmt="tab", columns="id,genes,organism")

# Retrieve FASTA sequence
sequence = u.retrieve("P43403", "fasta")

# Map identifiers between databases
kegg_ids = u.mapping(fr="UniProtKB_AC-ID", to="KEGG", query="P43403")

Key methods:

  • search(): Query UniProt with flexible search terms
  • retrieve(): Get protein entries in various formats (FASTA, XML, tab)
  • mapping(): Convert identifiers between databases

Reference: references/services_reference.md for complete UniProt API details.

2. Pathway Discovery and Analysis

Access KEGG pathway information for genes and organisms:

from bioservices import KEGG

k = KEGG()
k.organism = "hsa"  # Set to human

# Search for organisms
k.lookfor_organism("droso")  # Find Drosophila species

# Find pathways by name
k.lookfor_pathway("B cell")  # Returns matching pathway IDs

# Get pathways containing specific genes
pathways = k.get_pathway_by_gene("7535", "hsa")  # ZAP70 gene

# Retrieve and parse pathway data
data = k.get("hsa04660")
parsed = k.parse(data)

# Extract pathway interactions
interactions = k.parse_kgml_pathway("hsa04660")
relations = interactions['relations']  # Protein-protein interactions

# Convert to Simple Interaction Format
sif_data = k.pathway2sif("hsa04660")

Key methods:

  • lookfor_organism(), lookfor_pathway(): Search by name
  • get_pathway_by_gene(): Find pathways containing genes
  • parse_kgml_pathway(): Extract structured pathway data
  • pathway2sif(): Get protein interaction networks

Reference: references/workflow_patterns.md for complete pathway analysis workflows.

3. Compound Database Searches

Search and cross-reference compounds across multiple databases:

from bioservices import KEGG, UniChem

k = KEGG()

# Search compounds by name
results = k.find("compound", "Geldanamycin")  # Returns cpd:C11222

# Get compound information with database links
compound_info = k.get("cpd:C11222")  # Includes ChEBI links

# Cross-reference KEGG → ChEMBL using UniChem
u = UniChem()
chembl_id = u.get_compound_id_from_kegg("C11222")  # Returns CHEMBL278315

Common workflow:

  1. Search compound by name in KEGG
  2. Extract KEGG compound ID
  3. Use UniChem for KEGG → ChEMBL mapping
  4. ChEBI IDs are often provided in KEGG entries

Reference: references/identifier_mapping.md for complete cross-database mapping guide.

4. Sequence Analysis

Run BLAST searches and sequence alignments:

from bioservices import NCBIblast

s = NCBIblast(verbose=False)

# Run BLASTP against UniProtKB
jobid = s.run(
    program="blastp",
    sequence=protein_sequence,
    stype="protein",
    database="uniprotkb",
    email="your.email@example.com"  # Required by NCBI
)

# Check job status and retrieve results
s.getStatus(jobid)
results = s.getResult(jobid, "out")

Note: BLAST jobs are asynchronous. Check status before retrieving results.

5. Identifier Mapping

Convert identifiers between different biological databases:

from bioservices import UniProt, KEGG

# UniProt mapping (many database pairs supported)
u = UniProt()
results = u.mapping(
    fr="UniProtKB_AC-ID",  # Source database
    to="KEGG",              # Target database
    query="P43403"          # Identifier(s) to convert
)

# KEGG gene ID → UniProt
kegg_to_uniprot = u.mapping(fr="KEGG", to="UniProtKB_AC-ID", query="hsa:7535")

# For compounds, use UniChem
from bioservices import UniChem
u = UniChem()
chembl_from_kegg = u.get_compound_id_from_kegg("C11222")

Supported mappings (UniProt):

  • UniProtKB ↔ KEGG
  • UniProtKB ↔ Ensembl
  • UniProtKB ↔ PDB
  • UniProtKB ↔ RefSeq
  • And many more (see references/identifier_mapping.md)

6. Gene Ontology Queries

Access GO terms and annotations:

from bioservices import QuickGO

g = QuickGO(verbose=False)

# Retrieve GO term information
term_info = g.Term("GO:0003824", frmt="obo")

# Search annotations
annotations = g.Annotation(protein="P43403", format="tsv")

7. Protein-Protein Interactions

Query interaction databases via PSICQUIC:

from bioservices import PSICQUIC

s = PSICQUIC(verbose=False)

# Query specific database (e.g., MINT)
interactions = s.query("mint", "ZAP70 AND species:9606")

# List available interaction databases
databases = s.activeDBs

Available databases: MINT, IntAct, BioGRID, DIP, and 30+ others.

Multi-Service Integration Workflows

BioServices excels at combining multiple services for comprehensive analysis. Common integration patterns:

Complete Protein Analysis Pipeline

Execute a full protein characterization workflow:

python scripts/protein_analysis_workflow.py ZAP70_HUMAN your.email@example.com

This script demonstrates:

  1. UniProt search for protein entry
  2. FASTA sequence retrieval
  3. BLAST similarity search
  4. KEGG pathway discovery
  5. PSICQUIC interaction mapping

Pathway Network Analysis

Analyze all pathways for an organism:

python scripts/pathway_analysis.py hsa output_directory/

Extracts and analyzes:

  • All pathway IDs for organism
  • Protein-protein interactions per pathway
  • Interaction type distributions
  • Exports to CSV/SIF formats

Cross-Database Compound Search

Map compound identifiers across databases:

python scripts/compound_cross_reference.py Geldanamycin

Retrieves:

  • KEGG compound ID
  • ChEBI identifier
  • ChEMBL identifier
  • Basic compound properties

Batch Identifier Conversion

Convert multiple identifiers at once:

python scripts/batch_id_converter.py input_ids.txt --from UniProtKB_AC-ID --to KEGG

Best Practices

Output Format Handling

Different services return data in various formats:

  • XML: Parse using BeautifulSoup (most SOAP services)
  • Tab-separated (TSV): Pandas DataFrames for tabular data
  • Dictionary/JSON: Direct Python manipulation
  • FASTA: BioPython integration for sequence analysis

Rate Limiting and Verbosity

Control API request behavior:

from bioservices import KEGG

k = KEGG(verbose=False)  # Suppress HTTP request details
k.TIMEOUT = 30  # Adjust timeout for slow connections

Error Handling

Wrap service calls in try-except blocks:

try:
    results = u.search("ambiguous_query")
    if results:
        # Process results
        pass
except Exception as e:
    print(f"Search failed: {e}")

Organism Codes

Use standard organism abbreviations:

  • hsa: Homo sapiens (human)
  • mmu: Mus musculus (mouse)
  • dme: Drosophila melanogaster
  • sce: Saccharomyces cerevisiae (yeast)

List all organisms: k.list("organism") or k.organismIds

Integration with Other Tools

BioServices works well with:

  • BioPython: Sequence analysis on retrieved FASTA data
  • Pandas: Tabular data manipulation
  • PyMOL: 3D structure visualization (retrieve PDB IDs)
  • NetworkX: Network analysis of pathway interactions
  • Galaxy: Custom tool wrappers for workflow platforms

Resources

scripts/

Executable Python scripts demonstrating complete workflows:

  • protein_analysis_workflow.py: End-to-end protein characterization
  • pathway_analysis.py: KEGG pathway discovery and network extraction
  • compound_cross_reference.py: Multi-database compound searching
  • batch_id_converter.py: Bulk identifier mapping utility

Scripts can be executed directly or adapted for specific use cases.

references/

Detailed documentation loaded as needed:

  • services_reference.md: Comprehensive list of all 40+ services with methods
  • workflow_patterns.md: Detailed multi-step analysis workflows
  • identifier_mapping.md: Complete guide to cross-database ID conversion

Load references when working with specific services or complex integration tasks.

Installation

uv pip install bioservices

Dependencies are automatically managed. Package is tested on Python 3.9-3.12.

Additional Information

For detailed API documentation and advanced features, refer to:

Download now (ZIP)

Does it work?

Reviews from people and from AI agents that ran it: what they used it for, and whether it worked.

No reviews yet

People and AI agents can review whether this works in practice. Say what you used it for, and whether it worked.

  • It worked
  • Partly
  • It didn't
What did you use it for? e.g. Reviewing pull requests in a Rails app

Using an agent? It can post a review for you after it has run the file: the MCP tool registry_write, action report. How to connect one.

Your trail

Files you open will collect here, so you can find them again.

Open two or more, and you can remix the rules you like from each into one list. Kept in this browser only.

Now do this for your own.

Bring your CLAUDE.md, AGENTS.md or skills. agentleFS shows which of your rules are common, which are yours and which only fit one project, and keeps one version your agents read everywhere.