Skip to content

Repository files navigation

ProteinClaw

ProteinClaw Logo

The AI agent for protein bioinformatics. Describe your research goal in plain English — ProteinClaw figures out which tools to call, runs them, and streams a synthesized answer back to you.

Python Tests Tools License


Why ProteinClaw?

Protein research spans dozens of databases — UniProt, BLAST, ClinVar, gnomAD, GTEx, cBioPortal, and more. Moving data between them manually is slow, error-prone, and hard to reproduce.

ProteinClaw replaces that pipeline with a single conversational interface backed by a ReAct agent loop. You describe what you want; the agent decides which tools to call, calls them in sequence, and synthesizes the results into a coherent answer.

  • No scripting. Natural language in, structured results out.
  • Multi-tool reasoning. The agent chains tools automatically when your question requires it.
  • Streaming output. See tool calls, intermediate observations, and the final answer as they happen.
  • Your LLM. Works with OpenAI, Anthropic, DeepSeek, MiniMax, or a local Ollama model.
  • Your data stays on your machine. ProteinClaw runs entirely on your own computer. Your queries, results, and API keys never pass through any third-party server — nothing is collected, logged, or shared. Use a local Ollama model and no data leaves your machine at all.

What's Included

The Agent Core

A ReAct loop (proteinclaw/core/agent/) that drives all three interfaces:

Component What it does
loop.py Thought → Tool Call → Observation cycle, up to 10 steps
llm.py LiteLLM-based multi-model router with async streaming
prompt.py System prompt builder — injects available tools at runtime
events.py Typed event stream: ToolCallEvent, ObservationEvent, TokenEvent, DoneEvent, ErrorEvent

Three Interfaces

Interface How to launch Best for
Terminal UI proteinclaw Interactive multi-turn research sessions
One-shot CLI proteinclaw query "..." Scripting, pipelines, quick lookups
Desktop App Tauri .dmg / .exe Non-technical users, GUI workflow

ProteinBox — the Tool Layer

All database integrations live in proteinbox/api_tools/. Each tool is independently testable and auto-discovered by the agent at startup. 53 tools across 15 categories. See Supported Tools for the full list.


Usage Examples

Comprehensive Research Demo — EGFR from every angle

A single interactive session walking through all tool categories. The agent automatically chains tools based on each question.

proteinclaw

> What is EGFR and what does it look like structurally?
  [tool: uniprot]       P00533 — EGFR_HUMAN, receptor tyrosine kinase, 1210 aa, chr 7p11.2
  [tool: interpro]      4 domains: Furin-like (×2), Receptor L-domain, Pkinase_Tyr
  [tool: panther]       PTHR24416:SF85 — Epidermal growth factor receptor; protein class: Receptor kinase
  [tool: alphafold]     AF-P00533-F1, pLDDT 87.4 (high confidence), full-length model available
  [tool: pdb]           7JXR (1.9 Å X-ray, erlotinib-bound), 3NJP (2.8 Å, gefitinib-bound)
  [tool: cath]          Kinase domain: 3.30.200.20 (Alpha Beta / Sandwich / Protein Kinase)
  [tool: scopedb]       d.144.1.7 — Protein kinase-like (PK-like) superfamily
  [tool: opm]           Single-pass type I membrane protein, tilt angle 26°, hydrophobic thickness 30 Å

> How conserved is EGFR and what orthologs exist?
  [tool: eggnog]        OG: ENOG502S1B9 (Metazoa); COG category: T (Signal transduction); 847 orthologs
  [tool: consurf]       Kinase domain avg conservation grade: 7.9/9; activation loop (T790) grade: 9 (invariant)
  [tool: phylomedb]     Phylome 1: 32 orthologs across 28 species; 1:1 orthologs in mouse, zebrafish, Drosophila

> What are the key EGFR variants and their clinical impact?
  [tool: clinvar]       L858R — Pathogenic (lung adenocarcinoma); T790M — Pathogenic (drug resistance)
  [tool: gnomad]        pLI 1.00, LOEUF 0.14 — highly constrained; missense z-score 4.5
  [tool: uniprot_variants] 287 variants; 14 with clinical significance in kinase domain
  [tool: dbsnp]         rs121434568 (L858R): AF 0.0001, somatic in lung cancer; rs28929495 (T790M)
  [tool: gwas_catalog]  17 GWAS hits: lung cancer risk (p=3×10⁻¹²), breast cancer susceptibility

> What kinase activity data exists for EGFR?
  [tool: expasy_enzyme] EC 2.7.10.1 — receptor protein-tyrosine kinase; 312 characterized UniProt entries
  [tool: sabio_rk]      Km(ATP) = 18 µM (human, pH 7.4, 37°C); kcat = 0.8 s⁻¹ (EGF-activated form)
  [tool: brenda]        Km(peptide substrate) = 45 µM; optimal pH 7.5; inhibited by erlotinib (IC50 2 nM)

> Where is EGFR expressed at the mRNA and protein level?
  [tool: gtex]          Highest in skin (42 TPM), kidney cortex (38 TPM), bladder (29 TPM)
  [tool: protein_atlas] IHC: strong in liver, kidney, GI tract; subcellular: plasma membrane + endosome
  [tool: paxdb]         Skin: 524 ppm; kidney: 418 ppm; liver: 187 ppm (integrated proteomics)
  [tool: proteomicsdb]  Detected in 57/62 tissues; highest MS intensity in epidermis and placenta

> What complexes does EGFR form?
  [tool: complex_portal] CPX-906 — EGFR homodimer (EGF-activated); CPX-907 — EGFR:ERBB2 heterodimer
  [tool: corum]          Complex 5540 — EGFR signalosome: EGFR, GRB2, SOS1, SHC1, GAB1 (HEK293T)
  [tool: string]         Top partners: ERBB2 (0.999), ERBB3 (0.998), GRB2 (0.994), SRC (0.990)
  [tool: intact]         841 curated interactions; top method: anti-bait coimmunoprecipitation

> What drugs target EGFR and what are their binding affinities?
  [tool: drugbank]       11 approved drugs; erlotinib — reversible ATP-competitive inhibitor (NSCLC)
  [tool: chembl]         147 clinical compounds; 3rd-gen: osimertinib (IC50 1 nM, T790M-selective)
  [tool: bindingdb]      Erlotinib Kd = 0.4 nM; gefitinib Ki = 0.2 nM; osimertinib IC50 = 1 nM
  [tool: dgidb]          34 drug interactions: 28 inhibitors, 3 antibodies (cetuximab, panitumumab)
  [tool: opentargets]    Top disease: non-small cell lung carcinoma (score 0.95); 11 approved drugs

> What PTMs regulate EGFR and what cancer mutations are known?
  [tool: phosphosite]    42 phosphosites; Y1068 (major autophosphorylation); Y1173 (Shc recruitment)
  [tool: dbptm]          87 experimentally verified PTMs: 42 phosphorylation, 18 ubiquitination, 6 acetylation
  [tool: gene_ontology]  BP: transmembrane receptor tyrosine kinase signaling; CC: receptor complex
  [tool: cbioportal]     EGFR altered in 16% NSCLC (L858R 38%, amplification 22%, T790M 15%)
  [tool: disgenet]       top disease: lung neoplasms (score 0.9); 47 disease associations total

> What pathways involve EGFR?
  [tool: reactome]       51 pathways; top: EGFR Signaling (R-HSA-177929), PI3K/AKT Signaling
  [tool: wikipathways]   ErbB signaling (WP673), MAPK cascade (WP382), Focal Adhesion (WP306)
  [tool: kegg]           hsa04012 (ErbB signaling), hsa05223 (non-small cell lung cancer)

> Find recent papers on EGFR resistance mechanisms
  [tool: literature]     Searched PubMed, Europe PMC, Semantic Scholar, CrossRef, bioRxiv, arXiv
                         Top result: "Osimertinib resistance: mechanisms and clinical implications"
                         Nature Reviews Cancer 2024 — 312 citations
  [tool: pubmed]         847 articles for "EGFR resistance"; 43 reviews in last 2 years

Immune gene quick lookup (uses imgt):

proteinclaw

> Characterize the IGHV1-2 germline gene
  [tool: imgt]    IGHV1-2*02 — functional allele, chromosome 14q32.33
                  CDR1 length 8 aa, CDR2 length 8 aa; 99.6% identity to IGHV1-2*01
                  Used in 12% of mature B-cell repertoires; associated with anti-VRC01 broadly neutralizing antibodies

One-shot mode:

proteinclaw query "What clinical variants are reported for BRCA1?"
proteinclaw query --model gpt-4o "Summarize the GTEx expression profile of TP53"
proteinclaw query "Is rs1801133 a pathogenic variant?"
proteinclaw query "What kinetic parameters are known for EC 2.7.10.1?"
proteinclaw query "What drugs bind EGFR and what are their affinities?"

Example queries by category:

Category Query Tools invoked
Annotation What is P04637? uniprot → interpro → panther
Structure Show me EGFR structures and classify its domains pdb → alphafold → cath → scopedb
Membrane Is EGFR a membrane protein? What's its orientation? opm
Evolution How conserved is the EGFR kinase domain across species? eggnog → consurf → phylomedb
Sequence Find proteins similar to this sequence: <FASTA> blast → elm → disprot → mobidb
Variants What variants are reported for BRCA1? clinvar → gnomad → uniprot_variants
Kinetics What are the kinetic parameters of EC 2.7.10.1? expasy_enzyme → sabio_rk → brenda
Expression Where is TP53 expressed at mRNA and protein level? gtex → protein_atlas → paxdb → proteomicsdb
Complexes What protein complexes does EGFR form? complex_portal → corum
Interactions Who are EGFR's top interaction partners? string → intact
Drug & Binding What drugs target EGFR and how tightly do they bind? drugbank → chembl → bindingdb → dgidb
Disease What diseases are linked to TP53? opentargets → disgenet → omim
PTM What post-translational modifications regulate EGFR? phosphosite → dbptm
Cancer Tell me about TP53 mutations in lung cancer cbioportal → uniprot_variants
Pathways What pathways does EGFR participate in? reactome → wikipathways → kegg
Immunology Characterize the IGHV1-2 germline gene imgt
Proteomics Find public proteomics datasets for EGFR pride
Literature Recent papers on EGFR resistance literature → pubmed

TUI slash commands:

Command Effect
/model <name> Switch LLM model for this session
/tools List all registered tools
/clear Clear conversation history
/quit Exit

Installation

Option 1 — One-line install (Recommended)

macOS / Linux:

curl -fsSL https://raw.githubusercontent.com/shuaizengMU/ProteinClaw/main/install.sh | bash

Windows (PowerShell):

irm https://raw.githubusercontent.com/shuaizengMU/ProteinClaw/main/install.ps1 | iex

The script will:

  1. Install uv if not already present
  2. Install the ProteinClaw Python backend via uv tool install
  3. Download the proteinclaw-tui binary for your platform from the latest release
  4. Add ~/.local/bin to your PATH if needed

On first launch, a setup wizard prompts for your API key and default model. Settings are saved to ~/.config/proteinclaw/config.toml.

Option 2 — Run from source

git clone https://github.com/shuaizengMU/ProteinClaw.git
cd ProteinClaw
uv sync
bash scripts/build-tui.sh
cp target/release/proteinclaw-tui ~/.local/bin/
proteinclaw-tui

API Keys

You only need one key to get started.

Variable Provider Required
OPENAI_API_KEY OpenAI If using GPT-4o
ANTHROPIC_API_KEY Anthropic If using Claude
DEEPSEEK_API_KEY DeepSeek If using DeepSeek
MINIMAX_API_KEY MiniMax If using MiniMax
NCBI_API_KEY NCBI Optional — raises BLAST rate limit
DRUGBANK_TOKEN DrugBank Optional — enables drugbank tool (free registration at drugbank.com)
BRENDA_EMAIL + BRENDA_PASSWORD BRENDA Optional — enables brenda tool (free registration at brenda-enzymes.org)

Supported Tools

53 tools across 15 categories. API = calls an external database. Local = runs entirely on-device, no network required. Tools marked † require free registration (see API Keys).

Category Tool Type Database / Source What it fetches
Protein Annotation uniprot API UniProt Name, function, genes, organism, sequence length, GO terms
interpro API InterPro (EBI) Domain/family annotations from Pfam, PROSITE, CDD with coordinates
panther API PANTHER Family/subfamily classification, protein class, GO slim
gene_ontology API QuickGO (EBI) GO annotations by molecular function, biological process, cellular component
phosphosite API UniProt PTM Post-translational modifications (phosphorylation, ubiquitination, acetylation) with positions
expasy_protparam Local — MW, pI, GRAVY, instability index, signal peptide and TM helix prediction
sequence_analysis Local — MW, isoelectric point, GRAVY, amino acid composition, extinction coefficients
Protein Structure alphafold API AlphaFold DB (EBI) Predicted structure, pLDDT confidence score, sequence coverage, model version
pdb API RCSB Protein Data Bank Structure metadata: method, resolution, organism, deposit date, chains, ligands
cath API CATH Structural DB Domain classification: Class, Architecture, Topology, Homology hierarchy
scopedb API SCOPe SCOP class, fold, superfamily, and family for each PDB domain
opm API OPM (MPSTRUC) Membrane protein orientation: tilt angle, hydrophobic thickness, topology type
Sequence & Motifs blast API NCBI BLAST Sequence similarity against NR database; E-values, percent identity
elm Local — Short linear motif predictions: binding sites, modification sites, degradation signals
disprot API DisProt Experimentally validated intrinsically disordered regions with coordinates and evidence
mobidb API MobiDB Disorder consensus regions, curated disorder annotations
Protein Evolution eggnog API eggNOG v6 Orthologous group ID, COG functional category, GO terms, species coverage
consurf API ConSurf DB Per-residue conservation grades (1–9), functional residue flags
phylomedb API PhylomeDB Phylome IDs, 1:1/1:N orthologs with species and identity scores, paralogs
Variants & Clinical clinvar API ClinVar (NCBI) Clinical significance by gene; pathogenic/benign calls, associated conditions
dbsnp API dbSNP (NCBI) SNP details by rsID: position, alleles, clinical significance, minor allele frequency
gnomad API gnomAD (Broad) Gene constraint metrics: pLI, LOEUF, missense constraint
uniprot_variants API EBI Proteins API Known protein variants with clinical significance, consequence type, position
gwas_catalog API GWAS Catalog (EBI) GWAS associations by gene: traits, SNP rsIDs, p-values, risk alleles
Gene & Genomics ensembl API Ensembl REST API Gene/transcript IDs, genomic coordinates, biotype, orthologs, cross-references
ncbi_gene API NCBI Gene (Entrez) Gene ID, aliases, organism, chromosome location, summary
kegg API KEGG REST API KEGG pathway IDs and names for a gene
Enzyme / Metabolism expasy_enzyme API ExPASy ENZYME EC number, accepted name, reaction equation, cofactors, UniProt entry count
sabio_rk API SABIO-RK Km, kcat, Vmax with organism, pH, temperature, and PubMed reference
brenda † API BRENDA Km values, substrates, inhibitors, cofactors, optimal pH/temperature
Pathways & Interactions reactome API Reactome Biological pathways with names, species, diagram availability, sub-pathways
wikipathways API WikiPathways Pathways by gene/term: IDs, names, species, revision dates
string API STRING Database Protein-protein interactions: top partners with combined and interaction scores
intact API IntAct (EBI) Curated binary protein interactions with detection methods, MI scores
Protein Complexes complex_portal API Complex Portal (EBI) Experimentally validated complexes: subunits, stoichiometry, GO terms
corum API CORUM Curated mammalian complexes: subunit list, purification method, tissue, disease
Disease & Drug opentargets API Open Targets Platform Target-disease associations with evidence scores, known drugs, tractability
chembl API ChEMBL (EBI) Drug-target interactions: approved drugs and clinical candidates with mechanisms
disgenet API DisGeNET + NCBI Disease-gene associations with scores; NCBI fallback for Mendelian disease entries
omim API OMIM (via NCBI) Genetic disease associations via NCBI Gene → OMIM linkage
cbioportal API cBioPortal Cancer genomics: gene type, cytoband, mutation landscape across 535+ cancer studies
Drug & Binding Affinity drugbank † API DrugBank Mechanism of action, pharmacodynamics, ADMET, indications, targets
bindingdb API BindingDB Protein-ligand Ki, Kd, IC50 values with assay type and organism
dgidb API DGIdb Drug-gene interactions: drug names, interaction types (inhibitor/activator/antibody)
PTM & Structural dbptm API dbPTM Experimentally verified PTMs: type, residue position, kinase (if phosphorylation)
imgt API IMGT Immunoglobulin, TCR, and MHC gene classification, alleles, chromosomal location
Expression gtex API GTEx Portal Tissue-specific gene expression (median TPM) across human tissues
protein_atlas API Human Protein Atlas Tissue expression, IHC detection, subcellular localization, cancer specificity
Proteomics / Abundance paxdb API PaxDb Protein abundance in ppm across tissues and species (integrated proteomics)
proteomicsdb API ProteomicsDB MS intensity by tissue and cell line, peptide detectability
pride API PRIDE Archive Public proteomics dataset accessions, species, submission dates, PubMed links
Literature pubmed API PubMed (NCBI eUtils) Article titles, authors, journal, year, abstract snippets
literature API PubMed · Europe PMC · Semantic Scholar · CrossRef · bioRxiv · arXiv Searches 6 sources in parallel, deduplicates by DOI, merges results with citation counts

License

MIT

About

ProteinClaw: An AI Agent driven ecosystem for protein sequence analysis, structure prediction, and bioinformatics workflows.

Topics

Resources

Stars

1 star

Watchers

0 watching

Forks

Releases

Packages

Contributors

Languages