ToolUniverse Python SDK
3 calling patterns -- start with pattern 1:
tu.run({"name": ..., "arguments": ...}) -- single tool call, dict API (most portable)
tu.tools.ToolName(param=value) -- function API (recommended for interactive use)
- Direct class instantiation -- advanced, bypasses caching/hooks
Installation
pip install tooluniverse # Standard
pip install tooluniverse[embedding] # Embedding search (GPU)
pip install tooluniverse[all] # All features
export OPENAI_API_KEY="sk-..." # Required for LLM tool search
export NCBI_API_KEY="..." # Optional
Quick Start
from tooluniverse import ToolUniverse
tu = ToolUniverse()
tu.load_tools() # REQUIRED before any tool call
# Find tools
tools = tu.run({"name": "Tool_Finder_Keyword", "arguments": {"description": "protein structure", "limit": 10}})
# Execute (dict API)
result = tu.run({"name": "UniProt_get_entry_by_accession", "arguments": {"accession": "P05067"}})
# Execute (function API)
result = tu.tools.UniProt_get_entry_by_accession(accession="P05067")
Core Patterns
Batch Execution
calls = [
{"name": "UniProt_get_entry_by_accession", "arguments": {"accession": "P05067"}},
{"name": "UniProt_get_entry_by_accession", "arguments": {"accession": "P12345"}},
]
results = tu.run_batch(calls)
Scientific Workflow
def drug_discovery_pipeline(disease_id):
tu = ToolUniverse(use_cache=True)
tu.load_tools()
try:
targets = tu.tools.OpenTargets_get_associated_targets_by_disease_efoId(efoId=disease_id)
compound_calls = [
{"name": "ChEMBL_search_molecule_by_target",
"arguments": {"target_id": t['id'], "limit": 10}}
for t in targets['data'][:5]
]
compounds = tu.run_batch(compound_calls)
return {"targets": targets, "compounds": compounds}
finally:
tu.close()
Configuration
# Caching
tu = ToolUniverse(use_cache=True)
stats = tu.get_cache_stats()
tu.clear_cache()
# Hooks (auto-summarization of large outputs)
tu = ToolUniverse(hooks_enabled=True)
# Load specific categories
tu.load_tools(categories=["proteins", "drugs"])
Critical Notes
- Always call
load_tools() before using any tools
- Tool Finder returns nested structure: access via
tools['tools'] after isinstance(tools, dict) check
- Tool names are case-sensitive:
UniProt_get_entry_by_accession not uniprot_get_...
- Check required params:
tu.all_tool_dict["ToolName"]['parameter'].get('required', [])
- Cache deterministic calls (ML predictions, DB queries); don't cache real-time data
Error Handling
from tooluniverse.exceptions import ToolError, ToolUnavailableError, ToolValidationError
try:
result = tu.tools.some_tool(param="value")
except ToolUnavailableError:
... # Tool service down
except ToolValidationError as e:
tool_info = tu.all_tool_dict["some_tool"]
print(f"Required: {tool_info['parameter'].get('required', [])}")
Tool Categories
| Category |
Tools |
Use Cases |
| Proteins |
UniProt, RCSB PDB, AlphaFold |
Protein analysis, structure |
| Drugs |
DrugBank, ChEMBL, PubChem |
Drug discovery, compounds |
| Genomics |
Ensembl, NCBI Gene, gnomAD |
Gene analysis, variants |
| Diseases |
OpenTargets, ClinVar |
Disease-target associations |
| Literature |
PubMed, Europe PMC |
Literature search |
| ML Models |
ADMET-AI, AlphaFold |
Predictions, modeling |
| Pathways |
KEGG, Reactome |
Pathway analysis |
Resources
1---2name: tooluniverse-sdk-23description: Build AI scientist systems with the ToolUniverse Python SDK for scientific research. Covers the 3 calling patterns (`tu.run` portable dict API, `tu.tools.X` function API, direct class instantiation), tool loading, batch execution, MCP server integration, and embedding-based tool search. Use for SDK programming, custom tool composition, benchmarking pipelines, and integrating ToolUniverse into research workflows.4---56# ToolUniverse Python SDK78**3 calling patterns -- start with pattern 1:**91. `tu.run({"name": ..., "arguments": ...})` -- single tool call, dict API (most portable)102. `tu.tools.ToolName(param=value)` -- function API (recommended for interactive use)113. Direct class instantiation -- advanced, bypasses caching/hooks1213## Installation1415```bash16pip install tooluniverse # Standard17pip install tooluniverse[embedding] # Embedding search (GPU)18pip install tooluniverse[all] # All features19```2021```bash22export OPENAI_API_KEY="sk-..." # Required for LLM tool search23export NCBI_API_KEY="..." # Optional24```2526## Quick Start2728```python29from tooluniverse import ToolUniverse3031tu = ToolUniverse()32tu.load_tools() # REQUIRED before any tool call3334# Find tools35tools = tu.run({"name": "Tool_Finder_Keyword", "arguments": {"description": "protein structure", "limit": 10}})3637# Execute (dict API)38result = tu.run({"name": "UniProt_get_entry_by_accession", "arguments": {"accession": "P05067"}})3940# Execute (function API)41result = tu.tools.UniProt_get_entry_by_accession(accession="P05067")42```4344## Core Patterns4546### Batch Execution4748```python49calls = [50 {"name": "UniProt_get_entry_by_accession", "arguments": {"accession": "P05067"}},51 {"name": "UniProt_get_entry_by_accession", "arguments": {"accession": "P12345"}},52]53results = tu.run_batch(calls)54```5556### Scientific Workflow5758```python59def drug_discovery_pipeline(disease_id):60 tu = ToolUniverse(use_cache=True)61 tu.load_tools()62 try:63 targets = tu.tools.OpenTargets_get_associated_targets_by_disease_efoId(efoId=disease_id)64 compound_calls = [65 {"name": "ChEMBL_search_molecule_by_target",66 "arguments": {"target_id": t['id'], "limit": 10}}67 for t in targets['data'][:5]68 ]69 compounds = tu.run_batch(compound_calls)70 return {"targets": targets, "compounds": compounds}71 finally:72 tu.close()73```7475## Configuration7677```python78# Caching79tu = ToolUniverse(use_cache=True)80stats = tu.get_cache_stats()81tu.clear_cache()8283# Hooks (auto-summarization of large outputs)84tu = ToolUniverse(hooks_enabled=True)8586# Load specific categories87tu.load_tools(categories=["proteins", "drugs"])88```8990## Critical Notes91921. **Always call `load_tools()`** before using any tools932. **Tool Finder returns nested structure**: access via `tools['tools']` after `isinstance(tools, dict)` check943. **Tool names are case-sensitive**: `UniProt_get_entry_by_accession` not `uniprot_get_...`954. **Check required params**: `tu.all_tool_dict["ToolName"]['parameter'].get('required', [])`965. **Cache deterministic calls** (ML predictions, DB queries); don't cache real-time data9798## Error Handling99100```python101from tooluniverse.exceptions import ToolError, ToolUnavailableError, ToolValidationError102103try:104 result = tu.tools.some_tool(param="value")105except ToolUnavailableError:106 ... # Tool service down107except ToolValidationError as e:108 tool_info = tu.all_tool_dict["some_tool"]109 print(f"Required: {tool_info['parameter'].get('required', [])}")110```111112## Tool Categories113114| Category | Tools | Use Cases |115|----------|-------|-----------|116| Proteins | UniProt, RCSB PDB, AlphaFold | Protein analysis, structure |117| Drugs | DrugBank, ChEMBL, PubChem | Drug discovery, compounds |118| Genomics | Ensembl, NCBI Gene, gnomAD | Gene analysis, variants |119| Diseases | OpenTargets, ClinVar | Disease-target associations |120| Literature | PubMed, Europe PMC | Literature search |121| ML Models | ADMET-AI, AlphaFold | Predictions, modeling |122| Pathways | KEGG, Reactome | Pathway analysis |123124## Resources125126- **Docs**: https://zitniklab.hms.harvard.edu/ToolUniverse/127- **GitHub**: https://github.com/mims-harvard/ToolUniverse128- See [REFERENCE.md](REFERENCE.md) for detailed guides.