diff --git a/robin/analyses.py b/robin/analyses.py index 1270e4e..6e809bc 100644 --- a/robin/analyses.py +++ b/robin/analyses.py @@ -53,7 +53,7 @@ async def data_analysis( # Step 1: Gating, MFI and statistical analysis analysis_step = Step( - name="job-futurehouse-data-analysis-crow-high", + name=configuration.agent_settings.data_analysis_agent, prompt_template=analysis_prompt, cot_prompt=False, input_files={data_path: "flow_250508/"}, # change this to your input folder @@ -65,7 +65,7 @@ async def data_analysis( # Step 2: Consensus Analysis consensus_step = Step( - name="job-futurehouse-data-analysis-crow-high", + name=configuration.agent_settings.data_analysis_agent, prompt_template=consensus_prompt, cot_prompt=False, input_files={ diff --git a/robin/assays.py b/robin/assays.py index 0e59398..b5e23dd 100644 --- a/robin/assays.py +++ b/robin/assays.py @@ -38,7 +38,7 @@ async def generate_assay_queries( A dictionary of queries for the literature search, where keys and values are the query strings. """ - logger.info("\n\nStep 1: Formulating relevant queries for literature search...") + logger.info("Step 1: Formulating relevant queries for literature search...") assay_literature_system_message = ( configuration.prompts.assay_literature_system_message.format( @@ -87,7 +87,7 @@ async def experimental_assay_lit_review( Returns: A string containing the summarized literature review. """ - logger.info("\n\nStep 2: Conducting literature search with Edison platform...") + logger.info("Step 2: Conducting literature search with Edison platform...") assay_lit_review = await call_platform( queries=experimental_assay_queries_dict, @@ -122,7 +122,7 @@ async def propose_experimental_assay( Returns: A list of formatted strings, where each string represents a proposed assay. """ - logger.info("\n\nStep 3: Generating ideas for relevant experimental assays...") + logger.info("Step 3: Generating ideas for relevant experimental assays...") assay_proposal_system_message = ( configuration.prompts.assay_proposal_system_message.format( @@ -165,7 +165,7 @@ async def propose_experimental_assay( await f.write(f"Assay Candidate {i + 1}:\n") await f.write(f"{strategy}\n") - await f.write(f"{reasoning}\n\n") + await f.write(f"{reasoning}") logger.info(f"Successfully exported to {assay_list_export_file}") @@ -188,7 +188,7 @@ async def experimental_assay_detailed_reports( Returns: A dictionary containing the raw results from the platform call. """ - logger.info("\n\nStep 4: Detailed investigation and evaluation for each assay...") + logger.info("Step 4: Detailed investigation and evaluation for each assay...") def create_assay_hypothesis_queries(assay_idea_list: list[str]) -> dict[str, str]: assay_hypothesis_system_prompt = ( @@ -247,7 +247,7 @@ async def select_top_experimental_assay( Returns: The name (hypothesis) of the top-ranked experimental assay. """ - logger.info("\n\nStep 5: Selecting the top experimental assay...") + logger.info("Step 5: Selecting the top experimental assay...") assay_hypothesis_df = pd.DataFrame(assay_hypotheses["results"]) assay_hypothesis_df["index"] = assay_hypothesis_df.index @@ -271,7 +271,7 @@ async def select_top_experimental_assay( await run_comparisons( pairs_list=assay_pairs_list, - client=configuration.llm_client, + client=configuration.llm_judge, system_prompt=assay_ranking_system_prompt, ranking_prompt_format=assay_ranking_prompt_format, assay_hypothesis_df=assay_hypothesis_df, @@ -353,7 +353,6 @@ async def experimental_assay(configuration: RobinConfiguration) -> str: The synthesized candidate generation goal, or None if the process fails. """ logger.info("Starting selection of a relevant experimental assay.") - logger.info("————————————————————————————————————————————————————") # Step 1: Generate queries for Crow experimental_assay_queries_dict = await generate_assay_queries(configuration) diff --git a/robin/candidates.py b/robin/candidates.py index 0c3f97f..3d62494 100644 --- a/robin/candidates.py +++ b/robin/candidates.py @@ -43,7 +43,7 @@ async def generate_candidate_queries( Returns: A dictionary of queries for the literature search. """ - logger.info("\n\nStep 1: Formulating relevant queries for literature search...") + logger.info("Step 1: Formulating relevant queries for literature search...") candidate_query_generation_system_message = ( configuration.prompts.candidate_query_generation_system_message.format( @@ -112,7 +112,7 @@ async def candidate_lit_review( Returns: A string containing the summarized literature review. """ - logger.info("\n\nStep 2: Conducting literature search with Edison platform...") + logger.info("Step 2: Conducting literature search with Edison platform...") run_folder_name = str(configuration.run_folder_name) @@ -157,7 +157,7 @@ async def propose_therapeutic_candidates( # noqa: PLR0912 A list of formatted strings, each representing a proposed candidate. """ logger.info( - f"\n\nStep 3: Generating {configuration.num_candidates} ideas for therapeutic" + f"Step 3: Generating {configuration.num_candidates} ideas for therapeutic" " candidates..." ) @@ -199,19 +199,12 @@ async def propose_therapeutic_candidates( # noqa: PLR0912 Message(role="user", content=candidate_generation_user_message), ] - if "claude" in configuration.llm_name: - candidate_generation_result = await configuration.llm_client.call_single( - messages, - timeout=600, - temperature=1, - max_tokens=32000, - reasoning_effort="high", - ) - else: - candidate_generation_result = await configuration.llm_client.call_single( - messages, - temperature=1, - ) + candidate_generation_result = await configuration.llm_client.call_single( + messages, + timeout=600, + temperature=1, + reasoning_effort="high", + ) llm_raw_output = cast(str, candidate_generation_result.text) candidate_ideas_json = [] @@ -301,7 +294,7 @@ async def propose_therapeutic_candidates( # noqa: PLR0912 await f.write(f"Therapeutic Candidate {i + 1}:\n") await f.write(f"{parts[0]}\n") # Candidate await f.write(f"{parts[1]}\n") # Hypothesis - await f.write(f"{parts[2]}\n\n") # Reasoning + await f.write(f"{parts[2]}") # Reasoning logger.info(f"Successfully exported to {export_file}") return candidate_idea_list @@ -320,7 +313,7 @@ async def candidate_detailed_reports( candidate_idea_list: The list of proposed candidate strings. experimental_insights: Optional insights from experimental data analysis. """ - logger.info("\n\nStep 4: Detailed investigation and evaluation for candidates...") + logger.info("Step 4: Detailed investigation and evaluation for candidates...") run_folder_name = str(configuration.run_folder_name) def create_therapeutic_candidate_queries( @@ -380,7 +373,7 @@ async def rank_therapeutic_candidates( # noqa: PLR0912 configuration: The RobinConfiguration object for the run. experimental_insights: Optional insights from experimental data analysis. """ - logger.info("\n\nStep 5: Ranking the strength of the therapeutic candidates...") + logger.info("Step 5: Ranking the strength of the therapeutic candidates...") run_folder_name = str(configuration.run_folder_name) hypotheses_folder = ( @@ -412,7 +405,7 @@ async def rank_therapeutic_candidates( # noqa: PLR0912 await run_comparisons( pairs_list=pairs_list, - client=configuration.llm_client, + client=configuration.llm_judge, system_prompt=system_prompt, ranking_prompt_format=prompt_format, assay_hypothesis_df=candidate_information_df, diff --git a/robin/configuration.py b/robin/configuration.py index f54af8b..943f6f7 100644 --- a/robin/configuration.py +++ b/robin/configuration.py @@ -1,4 +1,3 @@ -import copy import os import re from datetime import datetime @@ -41,55 +40,67 @@ SYNTHESIZE_USER_CONTENT, ) -_DEFAULT_LLM_CONFIG_DATA = { - "model_list": [ - { - "model_name": "o4-mini", - "litellm_params": { - "model": "o4-mini", - "api_key": os.getenv("OPENAI_API_KEY", "insert_openai_key_here"), - }, - }, - { - "model_name": "o3-mini", - "litellm_params": { - "model": "o3-mini", - "api_key": os.getenv("OPENAI_API_KEY", "insert_openai_key_here"), - }, - }, - { - "model_name": "claude-opus-4", - "litellm_params": { - "model": "anthropic/claude-opus-4-20250514", - "api_key": os.getenv("ANTHROPIC_API_KEY"), - "timeout": 300, - "reasoning_effort": "high", - }, - }, - { - "model_name": "claude-sonnet-4", - "litellm_params": { - "model": "anthropic/claude-sonnet-4-20250514", - "api_key": os.getenv("ANTHROPIC_API_KEY"), - "timeout": 300, - "reasoning_effort": "high", - }, - }, - { - "model_name": "gemini-2.5-flash-preview", - "litellm_params": { - "model": "gemini/gemini-2.5-flash-preview-04-17", - "api_key": os.getenv("GEMINI_API_KEY"), - "timeout": 300, - "reasoning_effort": "high", - }, - }, - ] +# Provider to environment variable mapping for API keys +_PROVIDER_API_KEY_ENV_VARS: dict[str, str] = { + "openai": "OPENAI_API_KEY", + "anthropic": "ANTHROPIC_API_KEY", + "gemini": "GEMINI_API_KEY", + "google": "GEMINI_API_KEY", + "azure": "AZURE_API_KEY", + "cohere": "COHERE_API_KEY", + "mistral": "MISTRAL_API_KEY", + "groq": "GROQ_API_KEY", + "together": "TOGETHER_API_KEY", + "deepseek": "DEEPSEEK_API_KEY", } -def get_default_llm_config(): - return copy.deepcopy(_DEFAULT_LLM_CONFIG_DATA) +def get_provider_from_model(model: str) -> str: + """Extract provider from LiteLLM model string (e.g., 'openai/gpt-4o' -> 'openai').""" + if "/" in model: + return model.split("/")[0].lower() + return "openai" + + +def _get_api_key_for_model(model: str) -> str: + """Get the API key for a model from the appropriate environment variable.""" + provider = get_provider_from_model(model) + env_var = _PROVIDER_API_KEY_ENV_VARS.get(provider, f"{provider.upper()}_API_KEY") + api_key = os.getenv(env_var) + if not api_key: + raise ValueError( + f"API key for model '{model}' (provider: {provider}) not found. " + f"Please set the {env_var} environment variable." + ) + return api_key + + +def _build_litellm_config(model: str) -> dict: + """Build LiteLLM config dict for a model, automatically resolving API key.""" + provider = get_provider_from_model(model) + + # Build litellm_params dict + litellm_params: dict = { + "model": model, + "api_key": _get_api_key_for_model(model), + } + + if provider in {"openai", "anthropic", "gemini", "google"}: + litellm_params["timeout"] = 300 + + if provider == "openai": + litellm_params["reasoning_effort"] = "high" + + config: dict = { + "model_list": [ + { + "model_name": model, + "litellm_params": litellm_params, + } + ] + } + + return config def _get_prompt_args(template_string: str) -> set[str]: @@ -320,13 +331,23 @@ class Config: ), ) edison_api_key: str = "insert_edison_api_key_here" - llm_name: str = Field(default="o4-mini") - llm_formatter_name: str = Field(default="claude-opus-4") - llm_config: dict = Field(default_factory=get_default_llm_config) + llm_name: str = Field( + default="openai/gpt-5", + description="LiteLLM model name (e.g., 'openai/gpt-4o').", + ) + llm_formatter_name: str = Field( + default="anthropic/claude-opus-4-5-20251101", + description="LiteLLM model name for formatting (e.g., 'anthropic/claude-opus-4-5-20251101').", + ) + llm_judge_name: str = Field( + default="anthropic/claude-sonnet-4-5", + description="LiteLLM model name for judging comparisons (e.g., 'anthropic/claude-sonnet-4-5').", + ) agent_settings: AgentConfig = Field(default_factory=AgentConfig) _edison_client: EdisonClient | None = PrivateAttr(default=None) _llm_client: LiteLLMModel | None = PrivateAttr(default=None) _llm_formatter: LiteLLMModel | None = PrivateAttr(default=None) + _llm_judge: LiteLLMModel | None = PrivateAttr(default=None) @model_validator(mode="after") def set_run_folder_name_default(self) -> "RobinConfiguration": @@ -351,119 +372,26 @@ def edison_client(self) -> EdisonClient: @property def llm_client(self) -> LiteLLMModel: if self._llm_client is None: - target_model_definition = None - for model_def in self.llm_config["model_list"]: - if model_def.get("model_name") == self.llm_name: - target_model_definition = model_def - break - - if target_model_definition is None: - available_aliases = [ - md.get("model_name") for md in self.llm_config.get("model_list", []) - ] - raise ValueError( - f"LLM alias '{self.llm_name}' not found in llm_config.model_list. " - f"Available model aliases: {available_aliases}. " - f"Ensure '{self.llm_name}' is defined in _DEFAULT_LLM_CONFIG_DATA." - ) - - litellm_params_for_model = target_model_definition.get("litellm_params", {}) - provider_model_string = litellm_params_for_model.get("model") - - if not provider_model_string: - raise ValueError( - f"Missing 'model' key in litellm_params for alias '{self.llm_name}'" - ) - - resolved_api_key = litellm_params_for_model.get("api_key") - if resolved_api_key is None or resolved_api_key == "insert_openai_key_here": - key_env_var_name = "RELEVANT_API_KEY_ENV_VAR" - if ( - "o4-mini" in self.llm_name - or "openai" in provider_model_string.lower() - ): - key_env_var_name = "OPENAI_API_KEY" - elif ( - "claude" in self.llm_name - or "anthropic" in provider_model_string.lower() - ): - key_env_var_name = "ANTHROPIC_API_KEY" - elif ( - "gemini" in self.llm_name - or "google" in provider_model_string.lower() - ): - key_env_var_name = "GEMINI_API_KEY" - - raise ValueError( - f"API key for LLM alias '{self.llm_name}' (provider model: {provider_model_string}) " - f"is not set or is still the placeholder. Please ensure the environment variable " - f"(e.g., {key_env_var_name}) is correctly set." - ) - - self._llm_client = LiteLLMModel( - name=provider_model_string, config=litellm_params_for_model - ) + config = _build_litellm_config(self.llm_name) + self._llm_client = LiteLLMModel(name=self.llm_name, config=config) return self._llm_client @property def llm_formatter(self) -> LiteLLMModel: if self._llm_formatter is None: - target_model_definition = None - formatter_alias_to_find = self.llm_formatter_name - - for model_def in self.llm_config["model_list"]: - if model_def.get("model_name") == formatter_alias_to_find: - target_model_definition = model_def - break - - if target_model_definition is None: - available_aliases = [ - md.get("model_name") for md in self.llm_config.get("model_list", []) - ] - raise ValueError( - f"LLM formatter alias '{formatter_alias_to_find}' not found in llm_config.model_list. " - f"Available model aliases: {available_aliases}. " - f"Ensure '{formatter_alias_to_find}' is defined in _DEFAULT_LLM_CONFIG_DATA." - ) - - litellm_params_for_model = target_model_definition.get("litellm_params", {}) - provider_model_string = litellm_params_for_model.get("model") - - if not provider_model_string: - raise ValueError( - f"Missing 'model' key in litellm_params for formatter alias '{formatter_alias_to_find}'" - ) - - resolved_api_key = litellm_params_for_model.get("api_key") - if resolved_api_key is None or resolved_api_key == "insert_openai_key_here": - key_env_var_name = "RELEVANT_API_KEY_ENV_VAR" - if ( - "o4-mini" in formatter_alias_to_find - or "openai" in provider_model_string.lower() - ): - key_env_var_name = "OPENAI_API_KEY" - elif ( - "claude" in formatter_alias_to_find # FIXED - or "anthropic" in provider_model_string.lower() - ): - key_env_var_name = "ANTHROPIC_API_KEY" - elif ( - "gemini" in formatter_alias_to_find # FIXED - or "google" in provider_model_string.lower() - ): - key_env_var_name = "GEMINI_API_KEY" - - raise ValueError( - f"API key for LLM formatter alias '{formatter_alias_to_find}' (provider model: {provider_model_string}) " - f"is not set or is still the placeholder. Please ensure the environment variable " - f"(e.g., {key_env_var_name}) is correctly set." - ) - + config = _build_litellm_config(self.llm_formatter_name) self._llm_formatter = LiteLLMModel( - name=provider_model_string, config=litellm_params_for_model + name=self.llm_formatter_name, config=config ) return self._llm_formatter + @property + def llm_judge(self) -> LiteLLMModel: + if self._llm_judge is None: + config = _build_litellm_config(self.llm_judge_name) + self._llm_judge = LiteLLMModel(name=self.llm_judge_name, config=config) + return self._llm_judge + def get_da_client(self): from .multitrajectory_runner import MultiTrajectoryRunner diff --git a/robin/utils.py b/robin/utils.py index 705b823..a11f621 100644 --- a/robin/utils.py +++ b/robin/utils.py @@ -848,19 +848,12 @@ async def format_single_report( final_report_formatted_result = None - if "claude" in configuration.llm_formatter_name: - final_report_formatted_result = await configuration.llm_formatter.call_single( - formatting_messages, - timeout=600, - temperature=1, - max_tokens=32000, - reasoning_effort="high", - ) - else: - final_report_formatted_result = await configuration.llm_formatter.call_single( - formatting_messages, - temperature=1, - ) + final_report_formatted_result = await configuration.llm_formatter.call_single( + formatting_messages, + timeout=600, + temperature=1, + reasoning_effort="high", + ) updated_report = report.copy() diff --git a/robin_demo.ipynb b/robin_demo.ipynb index 23a2c74..d40ff9a 100644 --- a/robin_demo.ipynb +++ b/robin_demo.ipynb @@ -35,8 +35,8 @@ "source": [ "config = RobinConfiguration(\n", " disease_name=\"dry age-related macular degeneration\",\n", - " llm_name=\"o4-mini\", # choose between o3-mini, o4-mini, claude-sonnet-4, claude-opus-4, gemini-2.5-flash\n", - " llm_formatter_name=\"claude-opus-4\",\n", + " llm_name=\"anthropic/claude-opus-4-5-20251101\",\n", + " llm_judge_name=\"anthropic/claude-sonnet-4-5\",\n", ")\n", "\n", "logger = logging.getLogger(\"robin\")\n", @@ -66,75 +66,42 @@ "name": "stdout", "output_type": "stream", "text": [ - "2025-11-23 23:43:04,401 - robin.assays - INFO - Starting selection of a relevant experimental assay.\n", - "2025-11-23 23:43:04,404 - robin.assays - INFO - ————————————————————————————————————————————————————\n", - "2025-11-23 23:43:04,408 - robin.assays - INFO - \n", + "2025-11-24 13:50:54,055 - robin.assays - INFO - Starting selection of a relevant experimental assay.\n", + "2025-11-24 13:50:54,055 - robin.assays - INFO - Step 1: Formulating relevant queries for literature search...\n", + "2025-11-24 13:51:00,271 - lmi.llms - WARNING - Failed to calculate cost for claude-opus-4-5-20251101: litellm.BadRequestError: LLM Provider NOT provided. Pass in the LLM provider you are trying to call. You passed model=claude-opus-4-5-20251101\n", + " Pass model as E.g. For 'Huggingface' inference endpoints pass in `completion(model='huggingface/starcoder',..)` Learn more: https://docs.litellm.ai/docs/providers\n", + "2025-11-24 13:51:00,273 - robin.assays - INFO - Generated Queries:\n", + "2025-11-24 13:51:00,274 - robin.assays - INFO - 1. What are the key molecular and cellular mechanisms underlying dry age-related macular degeneration pathogenesis, including the roles of oxidative stress, lipofuscin accumulation, drusen formation, complement pathway dysregulation, and mitochondrial dysfunction in retinal pigment epithelium cells and photoreceptor degeneration?\n", "\n", - "Step 1: Formulating relevant queries for literature search...\n", - "2025-11-23 23:43:15,488 - robin.assays - INFO - Generated Queries:\n", - "2025-11-23 23:43:15,488 - robin.assays - INFO - 1. What are the molecular pathways leading to retinal pigment epithelial cell dysfunction and death in dry age-related macular degeneration, including oxidative stress, complement activation, mitochondrial impairment, lipofuscin accumulation, autophagy dysregulation, and inflammasome activation, and how can we recapitulate these phenotypes in in vitro cell culture models suitable for drug screening? \n", - "2025-11-23 23:43:15,488 - robin.assays - INFO - 2. Which established and emerging cell-based assays and readouts, such as high-content imaging, live-cell oxidative stress indicators, complement deposition ELISA, mitochondrial membrane potential assays, autophagic flux reporters, and lipofuscin quantification, have been validated for modeling dry AMD pathology in RPE or photoreceptor cell lines, and what are their dynamic ranges, sensitivity, and suitability for medium-to-high-throughput drug screening? \n", - "2025-11-23 23:43:15,489 - robin.assays - INFO - 3. How can in vitro modulation of complement factor H, NLRP3 inflammasome components, or lipid metabolism enzymes in RPE cultures be quantitatively measured using emerging technologies such as biosensors, transcriptomic profiling, or lipidomics, and what are the key positive and negative controls to validate assay specificity and reproducibility for dry AMD drug discovery?\n", - "2025-11-23 23:43:15,489 - robin.assays - INFO - \n", "\n", - "Step 2: Conducting literature search with Edison platform...\n", - "2025-11-23 23:43:16,078 - robin.utils - INFO - Starting literature search for 3 queries using job-futurehouse-paperqa3.\n", - "2025-11-23 23:55:22,640 - robin.utils - INFO - Finished processing 3 tasks.\n", - "2025-11-23 23:55:22,647 - robin.utils - INFO - Successfully wrote: query_1_what.txt to: robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_literature_reviews/query_1_what.txt\n", - "2025-11-23 23:55:22,648 - robin.utils - INFO - Successfully wrote: query_2_which.txt to: robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_literature_reviews/query_2_which.txt\n", - "2025-11-23 23:55:22,649 - robin.utils - INFO - Successfully wrote: query_3_how.txt to: robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_literature_reviews/query_3_how.txt\n", - "2025-11-23 23:55:22,650 - robin.assays - INFO - \n", + "2025-11-24 13:51:00,274 - robin.assays - INFO - 2. \n", "\n", - "Step 3: Generating ideas for relevant experimental assays...\n", - "2025-11-23 23:55:37,697 - robin.assays - INFO - Strategy: A2E Phototoxicity and Lipofuscin Clearance Assay in iPSC-RPE<|>Reasoning: Differentiate hu...\n", - "2025-11-23 23:55:37,698 - robin.assays - INFO - Strategy: Complement-Mediated Cytolysis and MAC Deposition Assay in ARPE-19<|>Reasoning: Sensitize A...\n", - "2025-11-23 23:55:37,698 - robin.assays - INFO - Strategy: Photoreceptor Outer Segment Phagocytosis and Autophagic Flux Assay<|>Reasoning: Feed ARPE-...\n", - "2025-11-23 23:55:37,705 - robin.assays - INFO - Successfully exported to robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_summary.txt\n", - "2025-11-23 23:55:37,706 - robin.assays - INFO - \n", + "What established cell culture models and primary cell types are currently used to study dry age-related macular degeneration in vitro, including human retinal pigment epithelium cell lines such as ARPE-19, iPSC-derived RPE cells, and photoreceptor co-culture systems, and what are their advantages and limitations for recapitulating disease-relevant phenotypes?\n", "\n", - "Step 4: Detailed investigation and evaluation for each assay...\n", - "2025-11-23 23:55:37,707 - robin.utils - INFO - Starting literature search for 3 queries using job-futurehouse-paperqa3.\n", - "2025-11-24 00:08:22,941 - robin.utils - INFO - Finished processing 3 tasks.\n", - "2025-11-24 00:08:22,945 - robin.utils - INFO - Successfully wrote: assay_hypothesis_1_a2e.txt to: robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_detailed_hypotheses/assay_hypothesis_1_a2e.txt\n", - "2025-11-24 00:08:22,947 - robin.utils - INFO - Successfully wrote: assay_hypothesis_2_complement.txt to: robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_detailed_hypotheses/assay_hypothesis_2_complement.txt\n", - "2025-11-24 00:08:22,948 - robin.utils - INFO - Successfully wrote: assay_hypothesis_3_photoreceptor.txt to: robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_detailed_hypotheses/assay_hypothesis_3_photoreceptor.txt\n", - "2025-11-24 00:08:22,948 - robin.assays - INFO - \n", "\n", - "Step 5: Selecting the top experimental assay...\n", - "2025-11-24 00:08:22,970 - robin.utils - INFO - Starting comparisons for 3 pairs with max concurrency 100...\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "Comparing Hypotheses: 100%|██████████| 3/3 [00:12<00:00, 4.14s/it]" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "2025-11-24 00:08:35,412 - robin.utils - INFO - \n", - "Finished processing pairs.\n", - "2025-11-24 00:08:35,413 - robin.utils - INFO - - Successful comparisons: 3\n", - "2025-11-24 00:08:35,413 - robin.utils - INFO - - Errors encountered: 0\n", - "2025-11-24 00:08:35,419 - robin.utils - INFO - Successfully saved 3 results to robin_output/dry_age-related_macular_degeneration_2025-11-23_23-43-04/experimental_assay_ranking_results.csv\n", - "2025-11-24 00:08:35,446 - robin.assays - INFO - Experimental Assay Selected: Complement-Mediated Cytolysis and MAC Deposition Assay in ARPE-19\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "\n" + "2025-11-24 13:51:00,275 - robin.assays - INFO - 3. \n", + "\n", + "What validated biomarkers, functional endpoints, and quantitative assay readouts have been used to assess retinal pigment epithelium health and dysfunction in cell-based systems, including measurements of barrier function, phagocytosis of photoreceptor outer segments, autophagy flux, inflammatory cytokine secretion, and cell viability under oxidative stress conditions?\n", + "2025-11-24 13:51:00,275 - robin.assays - INFO - Step 2: Conducting literature search with Edison platform...\n", + "2025-11-24 13:51:00,854 - robin.utils - INFO - Starting literature search for 3 queries using job-futurehouse-paperqa3.\n" ] }, { - "name": "stdout", - "output_type": "stream", - "text": [ - "2025-11-24 00:08:39,464 - robin.assays - INFO - Candidate Generation Goal: “Screen a focused small‐molecule library using the Complement‐Mediated Cytolysis and MAC Deposition Assay in ARPE-19 cells to identify and prioritize compounds that inhibit MAC formation and preserve RPE viability as candidate therapies for dry AMD.”\n" + "ename": "CancelledError", + "evalue": "", + "output_type": "error", + "traceback": [ + "\u001b[31m---------------------------------------------------------------------------\u001b[39m", + "\u001b[31mCancelledError\u001b[39m Traceback (most recent call last)", + "\u001b[36mCell\u001b[39m\u001b[36m \u001b[39m\u001b[32mIn[3]\u001b[39m\u001b[32m, line 1\u001b[39m\n\u001b[32m----> \u001b[39m\u001b[32m1\u001b[39m candidate_generation_goal = \u001b[38;5;28;01mawait\u001b[39;00m experimental_assay(configuration=config)\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/code/robin/robin/assays.py:361\u001b[39m, in \u001b[36mexperimental_assay\u001b[39m\u001b[34m(configuration)\u001b[39m\n\u001b[32m 358\u001b[39m experimental_assay_queries_dict = \u001b[38;5;28;01mawait\u001b[39;00m generate_assay_queries(configuration)\n\u001b[32m 360\u001b[39m \u001b[38;5;66;03m# Step 2: Conduct literature review on cell culture assays\u001b[39;00m\n\u001b[32m--> \u001b[39m\u001b[32m361\u001b[39m assay_lit_review_output = \u001b[38;5;28;01mawait\u001b[39;00m experimental_assay_lit_review(\n\u001b[32m 362\u001b[39m configuration, experimental_assay_queries_dict\n\u001b[32m 363\u001b[39m )\n\u001b[32m 365\u001b[39m \u001b[38;5;66;03m# Step 3: Propose experimental assays\u001b[39;00m\n\u001b[32m 366\u001b[39m assay_idea_list = \u001b[38;5;28;01mawait\u001b[39;00m propose_experimental_assay(\n\u001b[32m 367\u001b[39m configuration, assay_lit_review_output\n\u001b[32m 368\u001b[39m )\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/code/robin/robin/assays.py:92\u001b[39m, in \u001b[36mexperimental_assay_lit_review\u001b[39m\u001b[34m(configuration, experimental_assay_queries_dict)\u001b[39m\n\u001b[32m 77\u001b[39m \u001b[38;5;250m\u001b[39m\u001b[33;03m\"\"\"\u001b[39;00m\n\u001b[32m 78\u001b[39m \u001b[33;03mStep 2: Conduct a literature review for experimental assays.\u001b[39;00m\n\u001b[32m 79\u001b[39m \n\u001b[32m (...)\u001b[39m\u001b[32m 88\u001b[39m \u001b[33;03m A string containing the summarized literature review.\u001b[39;00m\n\u001b[32m 89\u001b[39m \u001b[33;03m\"\"\"\u001b[39;00m\n\u001b[32m 90\u001b[39m logger.info(\u001b[33m\"\u001b[39m\u001b[33mStep 2: Conducting literature search with Edison platform...\u001b[39m\u001b[33m\"\u001b[39m)\n\u001b[32m---> \u001b[39m\u001b[32m92\u001b[39m assay_lit_review = \u001b[38;5;28;01mawait\u001b[39;00m call_platform(\n\u001b[32m 93\u001b[39m queries=experimental_assay_queries_dict,\n\u001b[32m 94\u001b[39m edison_client=configuration.edison_client,\n\u001b[32m 95\u001b[39m job_name=configuration.agent_settings.assay_lit_search_agent,\n\u001b[32m 96\u001b[39m )\n\u001b[32m 98\u001b[39m assay_lit_review_results = assay_lit_review[\u001b[33m\"\u001b[39m\u001b[33mresults\u001b[39m\u001b[33m\"\u001b[39m]\n\u001b[32m 100\u001b[39m save_crow_files(\n\u001b[32m 101\u001b[39m assay_lit_review_results,\n\u001b[32m 102\u001b[39m run_dir=\u001b[33mf\u001b[39m\u001b[33m\"\u001b[39m\u001b[33mrobin_output/\u001b[39m\u001b[38;5;132;01m{\u001b[39;00mconfiguration.run_folder_name\u001b[38;5;132;01m}\u001b[39;00m\u001b[33m/experimental_assay_literature_reviews\u001b[39m\u001b[33m\"\u001b[39m,\n\u001b[32m 103\u001b[39m prefix=\u001b[33m\"\u001b[39m\u001b[33mquery\u001b[39m\u001b[33m\"\u001b[39m,\n\u001b[32m 104\u001b[39m )\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/code/robin/robin/utils.py:101\u001b[39m, in \u001b[36mcall_platform\u001b[39m\u001b[34m(queries, edison_client, job_name)\u001b[39m\n\u001b[32m 99\u001b[39m completed_tasks_results = []\n\u001b[32m 100\u001b[39m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[32m--> \u001b[39m\u001b[32m101\u001b[39m completed_tasks_results = \u001b[38;5;28;01mawait\u001b[39;00m asyncio.wait_for(\n\u001b[32m 102\u001b[39m gather_results(submitted_ids, edison_client), timeout=OVERALL_TIMEOUT\n\u001b[32m 103\u001b[39m )\n\u001b[32m 104\u001b[39m \u001b[38;5;28;01mexcept\u001b[39;00m \u001b[38;5;167;01mTimeoutError\u001b[39;00m:\n\u001b[32m 105\u001b[39m logger.exception(\n\u001b[32m 106\u001b[39m \u001b[33mf\u001b[39m\u001b[33m\"\u001b[39m\u001b[33mOverall operation timed out after \u001b[39m\u001b[38;5;132;01m{\u001b[39;00mOVERALL_TIMEOUT\u001b[38;5;132;01m}\u001b[39;00m\u001b[33m seconds.\u001b[39m\u001b[33m\"\u001b[39m\n\u001b[32m 107\u001b[39m )\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/.local/share/uv/python/cpython-3.13.5-macos-aarch64-none/lib/python3.13/asyncio/tasks.py:507\u001b[39m, in \u001b[36mwait_for\u001b[39m\u001b[34m(fut, timeout)\u001b[39m\n\u001b[32m 504\u001b[39m \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mTimeoutError\u001b[39;00m \u001b[38;5;28;01mfrom\u001b[39;00m\u001b[38;5;250m \u001b[39m\u001b[34;01mexc\u001b[39;00m\n\u001b[32m 506\u001b[39m \u001b[38;5;28;01masync\u001b[39;00m \u001b[38;5;28;01mwith\u001b[39;00m timeouts.timeout(timeout):\n\u001b[32m--> \u001b[39m\u001b[32m507\u001b[39m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;01mawait\u001b[39;00m fut\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/code/robin/robin/utils.py:68\u001b[39m, in \u001b[36mgather_results\u001b[39m\u001b[34m(task_ids, edison_client)\u001b[39m\n\u001b[32m 66\u001b[39m \u001b[38;5;250m\u001b[39m\u001b[33;03m\"\"\"Gathers results for multiple task IDs by polling concurrently.\"\"\"\u001b[39;00m\n\u001b[32m 67\u001b[39m tasks = [poll_for_task_completion(t_id, edison_client) \u001b[38;5;28;01mfor\u001b[39;00m t_id \u001b[38;5;129;01min\u001b[39;00m task_ids]\n\u001b[32m---> \u001b[39m\u001b[32m68\u001b[39m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;01mawait\u001b[39;00m asyncio.gather(*tasks)\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/code/robin/robin/utils.py:48\u001b[39m, in \u001b[36mpoll_for_task_completion\u001b[39m\u001b[34m(task_id, edison_client)\u001b[39m\n\u001b[32m 43\u001b[39m \u001b[38;5;28;01mif\u001b[39;00m task_response.status \u001b[38;5;129;01min\u001b[39;00m {\u001b[33m\"\u001b[39m\u001b[33mqueued\u001b[39m\u001b[33m\"\u001b[39m, \u001b[33m\"\u001b[39m\u001b[33min progress\u001b[39m\u001b[33m\"\u001b[39m}:\n\u001b[32m 44\u001b[39m logger.debug(\n\u001b[32m 45\u001b[39m \u001b[33mf\u001b[39m\u001b[33m\"\u001b[39m\u001b[33mTask \u001b[39m\u001b[38;5;132;01m{\u001b[39;00mtask_id\u001b[38;5;132;01m}\u001b[39;00m\u001b[33m is still in progress (Status:\u001b[39m\u001b[33m\"\u001b[39m\n\u001b[32m 46\u001b[39m \u001b[33mf\u001b[39m\u001b[33m\"\u001b[39m\u001b[33m \u001b[39m\u001b[38;5;132;01m{\u001b[39;00mtask_response.status\u001b[38;5;132;01m}\u001b[39;00m\u001b[33m). Continuing poll...\u001b[39m\u001b[33m\"\u001b[39m\n\u001b[32m 47\u001b[39m )\n\u001b[32m---> \u001b[39m\u001b[32m48\u001b[39m \u001b[38;5;28;01mawait\u001b[39;00m asyncio.sleep(POLLING_INTERVAL)\n\u001b[32m 49\u001b[39m \u001b[38;5;28;01mcontinue\u001b[39;00m\n\u001b[32m 51\u001b[39m \u001b[38;5;28;01mexcept\u001b[39;00m \u001b[38;5;167;01mException\u001b[39;00m \u001b[38;5;28;01mas\u001b[39;00m e:\n", + "\u001b[36mFile \u001b[39m\u001b[32m~/.local/share/uv/python/cpython-3.13.5-macos-aarch64-none/lib/python3.13/asyncio/tasks.py:718\u001b[39m, in \u001b[36msleep\u001b[39m\u001b[34m(delay, result)\u001b[39m\n\u001b[32m 714\u001b[39m h = loop.call_later(delay,\n\u001b[32m 715\u001b[39m futures._set_result_unless_cancelled,\n\u001b[32m 716\u001b[39m future, result)\n\u001b[32m 717\u001b[39m \u001b[38;5;28;01mtry\u001b[39;00m:\n\u001b[32m--> \u001b[39m\u001b[32m718\u001b[39m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;01mawait\u001b[39;00m future\n\u001b[32m 719\u001b[39m \u001b[38;5;28;01mfinally\u001b[39;00m:\n\u001b[32m 720\u001b[39m h.cancel()\n", + "\u001b[31mCancelledError\u001b[39m: " ] } ], diff --git a/uv.lock b/uv.lock index a3b841c..57363ea 100644 --- a/uv.lock +++ b/uv.lock @@ -17,11 +17,11 @@ wheels = [ [[package]] name = "aiofiles" -version = "24.1.0" +version = "25.1.0" source = { registry = "https://pypi.org/simple" } -sdist = { url = "https://files.pythonhosted.org/packages/0b/03/a88171e277e8caa88a4c77808c20ebb04ba74cc4681bf1e9416c862de237/aiofiles-24.1.0.tar.gz", hash = "sha256:22a075c9e5a3810f0c2e48f3008c94d68c65d763b9b03857924c99e57355166c", size = 30247, upload-time = "2024-06-24T11:02:03.584Z" } +sdist = { url = "https://files.pythonhosted.org/packages/41/c3/534eac40372d8ee36ef40df62ec129bee4fdb5ad9706e58a29be53b2c970/aiofiles-25.1.0.tar.gz", hash = "sha256:a8d728f0a29de45dc521f18f07297428d56992a742f0cd2701ba86e44d23d5b2", size = 46354, upload-time = "2025-10-09T20:51:04.358Z" } wheels = [ - { url = 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