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Improved clarity of the README.md in repo root
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README.md

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## 🧠 System Architecture
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COMPASS utilizes a sequential multi-agent workflow with iterative feedback loops.
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The COMPASS-engine utilizes a sequential multi-agent workflow with iterative feedback loops.
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<div align="center">
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<img src="overview/compass_engine/compass_flowchart_simplified.png" alt="COMPASS Flowchart" width="800" />
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## 🛠️ Installation
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1. **Clone the repository**:
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```bash
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git clone https://github.com/stvsever/COMPASS-Engine.git
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cd COMPASS-Engine
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```
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### Docker (CPU/UI)
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For a clean containerized UI/API workflow, see:
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- `docker/README.md`
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Short usage:
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```bash
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tar --exclude-from=docker/.dockerignore -cf - . | docker buildx build --platform linux/arm64 -f docker/Dockerfile -t compass-ui:local --load -
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export OPENROUTER_API_KEY="<your_openrouter_api_key>"
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docker run --rm -p 5005:5005 --name compass-ui -e OPENROUTER_API_KEY="${OPENROUTER_API_KEY}" compass-ui:local
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```
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For Intel Mac/Linux/Windows builds, use `--platform linux/amd64` (see `docker/README.md` for the full matrix and troubleshooting).
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2. **Install dependencies**:
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```bash
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pip install -r requirements.txt
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```
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> [!NOTE]
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> Optional variant: includes local-inference deps (`torch`/`transformers`/`bitsandbytes`) for people who really want them.
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> GPU acceleration is explicitly not here; use `hpc/`.
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3. **Configure Environment**:
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Create a `.env` file with your API keys:
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```env
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OPENROUTER_API_KEY=sk-...
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```
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## ⚡ Usage
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### Expected Input-Output Structure
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Each participant folder must contain four core input files (see data/pseudo_data/inputs):
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```text
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- data_overview.json
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- hierarchical_deviation_map.json
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- multi_modal_data.json
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- non_numerical_data.txt
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```
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The first three JSON files are ontology-based structured feature maps created during pre-processing
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Pipeline outputs (per participant) include:
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```text
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- report_{participant_id}.md (standard clinical report)
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- deep_phenotype.md (communicator deep phenotyping report, generated manually via UI or --generate_deep_phenotype)
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- execution_log_{participant_id}.json (structured execution log + dataflow summary/assertions)
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```
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Backend notes:
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- `Public API (OpenRouter)` is the default in UI/CLI.
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- Local runs can be configured in the Advanced Configuration panel (engine, dtype, quantization, context window, and role-specific overrides).
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### Quick Start (CLI)
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Run the pipeline on a participant folder ('binary classification' by default):
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Important: XAI currently supports only pure root-level binary classification. For multiclass/regression/hierarchical tasks, XAI is skipped with explicit status metadata.
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Each participant folder must contain four core input files (see data/pseudo_data/inputs):
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```text
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- data_overview.json
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- hierarchical_deviation_map.json
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- multi_modal_data.json
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- non_numerical_data.txt
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```
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The first three JSON files are ontology-based structured feature maps created during pre-processing
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Pipeline outputs (per participant) include:
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```text
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- report_{participant_id}.md (standard clinical report)
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- deep_phenotype.md (communicator deep phenotyping report, generated manually via UI or --generate_deep_phenotype)
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- execution_log_{participant_id}.json (structured execution log + dataflow summary/assertions)
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```
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Backend notes:
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- `Public API (OpenRouter)` is the default in UI/CLI.
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- Local runs can be configured in the Advanced Configuration panel (engine, dtype, quantization, context window, and role-specific overrides).
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### Docker (CPU/UI)
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For a clean containerized UI/API workflow, see:
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- `docker/README.md`
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Short usage:
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```bash
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tar --exclude-from=docker/.dockerignore -cf - . | docker buildx build --platform linux/arm64 -f docker/Dockerfile -t compass-ui:local --load -
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export OPENROUTER_API_KEY="<your_openrouter_api_key>"
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docker run --rm -p 5005:5005 --name compass-ui -e OPENROUTER_API_KEY="${OPENROUTER_API_KEY}" compass-ui:local
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```
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For Intel Mac/Linux/Windows builds, use `--platform linux/amd64` (see `docker/README.md` for the full matrix and troubleshooting).
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> [!NOTE]
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> Optional variant: includes local-inference deps (`torch`/`transformers`/`bitsandbytes`) for people who really want them.
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> GPU acceleration is explicitly not here; use `hpc/`.
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### HPC Example (Single GPU Setup)
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For a complete Slurm + Apptainer workflow example for single-GPU HPC execution, see:

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