diff --git a/.gitignore b/.gitignore index a833eee..6573f77 100644 --- a/.gitignore +++ b/.gitignore @@ -146,4 +146,4 @@ packages/crow-integration-tests/errors/ # Other -./CLAUDE.md \ No newline at end of file +./CLAUDE.md diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 5ee30d4..ae68ca5 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -40,6 +40,7 @@ repos: rev: v0.24.2 hooks: - id: toml-sort-fix + exclude: ^uv\.lock$ - repo: https://github.com/crate-ci/typos rev: v1.30.3 hooks: diff --git a/README.md b/README.md index 72e46a3..627525e 100644 --- a/README.md +++ b/README.md @@ -6,7 +6,7 @@ See our [blog](https://www.futurehouse.org/research-announcements/demonstrating- - **Python:** Version 3.12 or higher. - **API Keys:** - - `EDISON_API_KEY`: For accessing Edison platform agents (Crow, Falcon - now called 'Literature'). Obtain from https://platform.edisonscientific.com/profile. You must first create an Edison profile, purchase credits and then create an API key (Account -> Profile -> API Tokens). + - `EDISON_API_KEY`: For accessing Edison platform agents (Crow, Falcon - now called 'Literature'). Obtain from https://platform.edisonscientific.com/profile. You must first create an Edison profile, purchase credits and then create an API key (Account -> Profile -> API Tokens). - An API key for your chosen LLM provider (e.g., `OPENAI_API_KEY` if using OpenAI models). Robin uses LiteLLM, so it can support various providers. - The data analysis portion of this repo requires access to the Edison platform. Without access, all the hypothesis and experiment generation code can still be run. @@ -19,15 +19,18 @@ Docker is a tool that packages software into a self-contained "container" that r For a fully self-contained environment that avoids OS-level dependency conflicts, Docker is the recommended approach: 1. **Build the image:** + ```bash docker build -t robin . ``` 2. **Set up API keys:** + ```bash cp .env.example .env # Edit .env and fill in your EDISON_API_KEY and OPENAI_API_KEY ``` + Important: do **not** wrap values in quotes (e.g. `OPENAI_API_KEY=sk-abc123`, not `OPENAI_API_KEY="sk-abc123"`). Docker reads the file differently from Python and will include the quotes as part of the key. 3. **Run Jupyter:** @@ -159,6 +162,6 @@ These example outputs are provided to help users to understand the depth, format ## Advanced Usage -A full example trajectory of both the initial therapeutic candidate generation and experimental data analysis can be found in the `robin_full.ipynb` notebook. This notebook includes the parameters and agents used in the paper. +A full example trajectory of both the initial therapeutic candidate generation and experimental data analysis can be found in the `robin_full.ipynb` notebook. This notebook includes the parameters and agents used in the paper. While this guide focuses on the `robin_demo.ipynb` notebook, the `robin` Python module (in the `robin/` directory) can be imported and its functions (`experimental_assay`, `therapeutic_candidates`, `data_analysis`) can be used programmatically in your own Python scripts for more customized workflows. diff --git a/pyproject.toml b/pyproject.toml index 9296109..4cb55d3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -21,12 +21,12 @@ dependencies = [ "aiofiles", "anthropic", "choix", + "edison-client>=0.11", "fhaviary", "fhlmi", - "edison-client>=0.11", - "openai>=1", - "pandas>=2", - "pydantic>=2", + "openai>=1", + "pandas>=2", + "pydantic>=2", "python-dotenv", "tqdm", ] diff --git a/robin/assays.py b/robin/assays.py index 6d0c59a..e3feced 100644 --- a/robin/assays.py +++ b/robin/assays.py @@ -1,5 +1,6 @@ import json import logging +import re from pathlib import Path from typing import cast @@ -113,15 +114,17 @@ async def experimental_assay(configuration: RobinConfiguration) -> str | None: response_text = cast(str, experimental_assay_ideas.text) if not response_text.strip(): - raise ValueError("LLM returned an empty response during assay proposal generation.") + raise ValueError( + "LLM returned an empty response during assay proposal generation." + ) try: assay_idea_json = json.loads(response_text) - except json.JSONDecodeError: + except json.JSONDecodeError as err: match = re.search(r"\[.*\]", response_text, re.DOTALL) if not match: raise ValueError( f"LLM response did not contain a JSON array. Response: {response_text[:200]}" - ) + ) from err assay_idea_json = json.loads(match.group()) assay_idea_list = format_assay_ideas(assay_idea_json) diff --git a/robin/configuration.py b/robin/configuration.py index f65af07..13d1596 100644 --- a/robin/configuration.py +++ b/robin/configuration.py @@ -2,14 +2,13 @@ import os import re from datetime import datetime +from typing import Any from dotenv import load_dotenv from edison_client import EdisonClient, JobNames from lmi import LiteLLMModel from pydantic import BaseModel, Field, PrivateAttr, model_validator -load_dotenv() - from .prompts import ( ANALYSIS_QUERIES, ASSAY_HYPOTHESIS_FORMAT, @@ -44,6 +43,8 @@ SYNTHESIZE_USER_CONTENT, ) +load_dotenv() + _DEFAULT_LLM_CONFIG_DATA = { "model_list": [ { @@ -58,9 +59,9 @@ } -def get_default_llm_config(): +def get_default_llm_config() -> dict[str, Any]: # Key is read on each instantiation so env vars set after import are picked up. - data = copy.deepcopy(_DEFAULT_LLM_CONFIG_DATA) + data: dict[str, Any] = copy.deepcopy(_DEFAULT_LLM_CONFIG_DATA) data["model_list"][0]["litellm_params"]["api_key"] = os.getenv( "OPENAI_API_KEY", "insert_openai_key_here" ) diff --git a/robin/utils.py b/robin/utils.py index c9a4102..e8eede7 100644 --- a/robin/utils.py +++ b/robin/utils.py @@ -558,7 +558,7 @@ def parse_custom_tuple_string(s): # noqa: PLR0911 game_scores.append(None) else: game_scores.append(None) - processed_ranking_results["Game Score"] = game_scores + processed_ranking_results["Game Score"] = cast(Any, game_scores) processed_ranking_results = processed_ranking_results.dropna(subset=["Game Score"]) diff --git a/uv.lock b/uv.lock index b9aed96..3830aa9 100644 --- a/uv.lock +++ b/uv.lock @@ -1,6 +1,10 @@ version = 1 revision = 2 requires-python = ">=3.12" +resolution-markers = [ + "python_full_version >= '3.14'", + "python_full_version < '3.14'", +] [[package]] name = "aiofiles" @@ -133,6 +137,90 @@ wheels = [ { url = 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