Add how to run evaluation.py (LangSmith api key is needed)

README.md

@@ -168,6 +168,10 @@ python -m app.core.main -c "Which lab extracts show inhibition above 50% against
 
 MetaboT saves all result sets to CSV files in a temporary folder and returns the file path. When results are small, they are also displayed inline; for large result sets, only the file path is returned to avoid exceeding the LLM context window.
 
+### LangSmith automated evaluation (benchmark)
+
+This repository includes a LangSmith-based automated evaluation script at `app/core/tests/evaluation.py`. To run it locally you need a LangSmith API key (`LANGCHAIN_API_KEY` or `LANGSMITH_API_KEY`) and an LLM provider key (e.g. `OPENAI_API_KEY`). See [docs/examples/langsmith-evaluation.md](docs/examples/langsmith-evaluation.md).
+
 ### Streamlit web app
 
 The repository also includes a Streamlit interface:

app/core/tests/evaluation.py

@@ -24,7 +24,7 @@
 openai_key = os.getenv("OPENAI_API_KEY")
 
 if not api_key:
-    raise ValueError("Missing LANGCHAIN_API_KEY. Please copy .env.template to .env and add your key.")
+    raise ValueError("Missing LANGCHAIN_API_KEY (or LANGSMITH_API_KEY). Please add it to your repo-root .env (see docs/user-guide/configuration.md).")
 if not openai_key:
     raise ValueError("Missing OPENAI_API_KEY. Please copy .env.template to .env and add your key.")
 

docs/examples/langsmith-evaluation.md

@@ -0,0 +1,20 @@
+# LangSmith automated evaluation
+
+To run the automated evaluation you need a **LangSmith API key**. Create an account and generate an API key using the LangSmith docs: [Create an account and API key](https://docs.langchain.com/langsmith/create-account-api-key).
+
+Add the key to your repo-root `.env` (do not commit it), along with your LLM provider key:
+
+```env
+LANGCHAIN_API_KEY=your_langsmith_key   # or LANGSMITH_API_KEY
+LANGCHAIN_PROJECT=MetaboT_Test_Run
+OPENAI_API_KEY=your_openai_key
+```
+
+Then run (from the repository root):
+
+```bash
+python -m app.core.tests.evaluation
+```
+
+This starts the benchmark evaluation (running MetaboT on ~50 questions). LLM-based evaluators compare the generated answers with the reference answers. A link to the evaluation run will appear once the evaluation starts, and you can also find it later in your LangSmith account.
+

docs/user-guide/configuration.md

@@ -142,6 +142,8 @@ LANGCHAIN_ENDPOINT=https://api.smith.langchain.com
 
 If no tracing key is present, MetaboT disables tracing automatically.
 
+For running the repository's LangSmith-based automated benchmark evaluation, see [docs/examples/langsmith-evaluation.md](../examples/langsmith-evaluation.md).
+
 ## SPARQL and Schema Configuration
 
 `app/config/sparql.ini` contains helper queries used to inspect or work with the graph schema. These are especially important when MetaboT needs to construct schema-aware prompts from an endpoint rather than from assumptions.