Use Tailscale endpoints, add RunPod Docker build files

components/runpod_trainer/Dockerfile

@@ -2,20 +2,17 @@ FROM runpod/pytorch:2.1.0-py3.10-cuda11.8.0-devel-ubuntu22.04
 
 WORKDIR /app
 
+# Copy requirements first for better caching
+COPY requirements.txt /app/requirements.txt
+
 # Install dependencies
-RUN pip install --no-cache-dir \
-    runpod \
-    transformers \
-    datasets \
-    accelerate \
-    boto3 \
-    scikit-learn \
-    scipy
+RUN pip install --no-cache-dir -r requirements.txt
 
 # Copy handler
 COPY handler.py /app/handler.py
 
 # Set environment variables
 ENV PYTHONUNBUFFERED=1
+ENV HF_HOME=/tmp/huggingface
 
 CMD ["python", "-u", "handler.py"]

components/runpod_trainer/requirements.txt

@@ -0,0 +1,9 @@
+runpod>=1.6.0
+transformers>=4.36.0
+datasets>=2.16.0
+accelerate>=0.25.0
+boto3>=1.34.0
+scikit-learn>=1.3.0
+scipy>=1.11.0
+torch>=2.1.0
+safetensors>=0.4.0

ddi_data_prep.yaml

@@ -0,0 +1,265 @@
+# PIPELINE DEFINITION
+# Name: ddi-data-preparation
+# Description: Prepare DDI training data and configuration
+# Inputs:
+#    epochs: int [Default: 3.0]
+#    learning_rate: float [Default: 2e-05]
+#    minio_endpoint: str [Default: 'http://minio.minio.svc.cluster.local:9000']
+#    model_name: str [Default: 'emilyalsentzer/Bio_ClinicalBERT']
+components:
+  comp-create-ddi-dataset:
+    executorLabel: exec-create-ddi-dataset
+    inputDefinitions:
+      parameters:
+        minio_access_key:
+          parameterType: STRING
+        minio_endpoint:
+          parameterType: STRING
+        minio_secret_key:
+          parameterType: STRING
+        output_path:
+          defaultValue: ddi_train.json
+          isOptional: true
+          parameterType: STRING
+    outputDefinitions:
+      parameters:
+        Output:
+          parameterType: STRING
+  comp-create-training-config:
+    executorLabel: exec-create-training-config
+    inputDefinitions:
+      parameters:
+        batch_size:
+          defaultValue: 16.0
+          isOptional: true
+          parameterType: NUMBER_INTEGER
+        dataset_path:
+          parameterType: STRING
+        epochs:
+          defaultValue: 3.0
+          isOptional: true
+          parameterType: NUMBER_INTEGER
+        learning_rate:
+          defaultValue: 2.0e-05
+          isOptional: true
+          parameterType: NUMBER_DOUBLE
+        minio_access_key:
+          parameterType: STRING
+        minio_endpoint:
+          parameterType: STRING
+        minio_secret_key:
+          parameterType: STRING
+        model_name:
+          defaultValue: emilyalsentzer/Bio_ClinicalBERT
+          isOptional: true
+          parameterType: STRING
+    outputDefinitions:
+      parameters:
+        Output:
+          parameterType: STRING
+deploymentSpec:
+  executors:
+    exec-create-ddi-dataset:
+      container:
+        args:
+        - --executor_input
+        - '{{$}}'
+        - --function_to_execute
+        - create_ddi_dataset
+        command:
+        - sh
+        - -c
+        - "\nif ! [ -x \"$(command -v pip)\" ]; then\n    python3 -m ensurepip ||\
+          \ python3 -m ensurepip --user || apt-get install python3-pip\nfi\n\nPIP_DISABLE_PIP_VERSION_CHECK=1\
+          \ python3 -m pip install --quiet --no-warn-script-location 'boto3' 'requests'\
+          \  &&  python3 -m pip install --quiet --no-warn-script-location 'kfp==2.15.2'\
+          \ '--no-deps' 'typing-extensions>=3.7.4,<5; python_version<\"3.9\"' && \"\
+          $0\" \"$@\"\n"
+        - sh
+        - -ec
+        - 'program_path=$(mktemp -d)
+
+
+          printf "%s" "$0" > "$program_path/ephemeral_component.py"
+
+          _KFP_RUNTIME=true python3 -m kfp.dsl.executor_main                         --component_module_path                         "$program_path/ephemeral_component.py"                         "$@"
+
+          '
+        - "\nimport kfp\nfrom kfp import dsl\nfrom kfp.dsl import *\nfrom typing import\
+          \ *\n\ndef create_ddi_dataset(\n    minio_endpoint: str,\n    minio_access_key:\
+          \ str,\n    minio_secret_key: str,\n    output_path: str = \"ddi_train.json\"\
+          \n) -> str:\n    \"\"\"Create DDI training dataset and upload to MinIO.\"\
+          \"\"\n    import json\n    import boto3\n\n    # DDI training data (drug\
+          \ pairs with interaction severity)\n    # Labels: 0=none, 1=minor, 2=moderate,\
+          \ 3=major, 4=contraindicated\n    training_data = [\n        # Major interactions\n\
+          \        {\"text\": \"Patient taking warfarin and aspirin together\", \"\
+          label\": 3},\n        {\"text\": \"Concurrent use of simvastatin and amiodarone\"\
+          , \"label\": 3},\n        {\"text\": \"Methotrexate and NSAIDs used together\"\
+          , \"label\": 3},\n        {\"text\": \"Ciprofloxacin and theophylline interaction\"\
+          , \"label\": 3},\n        {\"text\": \"Digoxin and amiodarone combination\
+          \ therapy\", \"label\": 3},\n        {\"text\": \"Lithium and ACE inhibitors\
+          \ together\", \"label\": 3},\n\n        # Contraindicated\n        {\"text\"\
+          : \"Fluoxetine and tramadol co-administration\", \"label\": 4},\n      \
+          \  {\"text\": \"SSRIs with MAO inhibitors\", \"label\": 4},\n        {\"\
+          text\": \"Benzodiazepines with opioids\", \"label\": 4},\n        {\"text\"\
+          : \"Metronidazole and alcohol consumption\", \"label\": 4},\n        {\"\
+          text\": \"Linezolid with serotonergic drugs\", \"label\": 4},\n\n      \
+          \  # Moderate\n        {\"text\": \"Patient prescribed omeprazole with clopidogrel\"\
+          , \"label\": 2},\n        {\"text\": \"Atorvastatin given with diltiazem\"\
+          , \"label\": 2},\n        {\"text\": \"ACE inhibitor with potassium supplement\"\
+          , \"label\": 2},\n        {\"text\": \"Metformin with contrast dye procedures\"\
+          , \"label\": 2},\n\n        # Minor\n        {\"text\": \"Levothyroxine\
+          \ taken with calcium supplements\", \"label\": 1},\n        {\"text\": \"\
+          Antacids with oral antibiotics timing\", \"label\": 1},\n        {\"text\"\
+          : \"Iron supplements with dairy products\", \"label\": 1},\n\n        #\
+          \ No interaction\n        {\"text\": \"Metformin administered with lisinopril\"\
+          , \"label\": 0},\n        {\"text\": \"Amlodipine with metoprolol combination\"\
+          , \"label\": 0},\n        {\"text\": \"Omeprazole and acetaminophen together\"\
+          , \"label\": 0},\n        {\"text\": \"Vitamin D with calcium supplements\"\
+          , \"label\": 0},\n    ]\n\n    # Upload to MinIO\n    s3 = boto3.client(\n\
+          \        's3',\n        endpoint_url=minio_endpoint,\n        aws_access_key_id=minio_access_key,\n\
+          \        aws_secret_access_key=minio_secret_key,\n        region_name='us-east-1'\n\
+          \    )\n\n    data_json = json.dumps(training_data, indent=2)\n    s3.put_object(\n\
+          \        Bucket='datasets',\n        Key=output_path,\n        Body=data_json.encode('utf-8'),\n\
+          \        ContentType='application/json'\n    )\n\n    print(f\"\u2705 Uploaded\
+          \ {len(training_data)} samples to datasets/{output_path}\")\n    print(f\"\
+          \   - Contraindicated: {sum(1 for d in training_data if d['label'] == 4)}\"\
+          )\n    print(f\"   - Major: {sum(1 for d in training_data if d['label']\
+          \ == 3)}\")\n    print(f\"   - Moderate: {sum(1 for d in training_data if\
+          \ d['label'] == 2)}\")\n    print(f\"   - Minor: {sum(1 for d in training_data\
+          \ if d['label'] == 1)}\")\n    print(f\"   - None: {sum(1 for d in training_data\
+          \ if d['label'] == 0)}\")\n\n    return f\"s3://datasets/{output_path}\"\
+          \n\n"
+        image: python:3.11-slim
+    exec-create-training-config:
+      container:
+        args:
+        - --executor_input
+        - '{{$}}'
+        - --function_to_execute
+        - create_training_config
+        command:
+        - sh
+        - -c
+        - "\nif ! [ -x \"$(command -v pip)\" ]; then\n    python3 -m ensurepip ||\
+          \ python3 -m ensurepip --user || apt-get install python3-pip\nfi\n\nPIP_DISABLE_PIP_VERSION_CHECK=1\
+          \ python3 -m pip install --quiet --no-warn-script-location 'boto3'  && \
+          \ python3 -m pip install --quiet --no-warn-script-location 'kfp==2.15.2'\
+          \ '--no-deps' 'typing-extensions>=3.7.4,<5; python_version<\"3.9\"' && \"\
+          $0\" \"$@\"\n"
+        - sh
+        - -ec
+        - 'program_path=$(mktemp -d)
+
+
+          printf "%s" "$0" > "$program_path/ephemeral_component.py"
+
+          _KFP_RUNTIME=true python3 -m kfp.dsl.executor_main                         --component_module_path                         "$program_path/ephemeral_component.py"                         "$@"
+
+          '
+        - "\nimport kfp\nfrom kfp import dsl\nfrom kfp.dsl import *\nfrom typing import\
+          \ *\n\ndef create_training_config(\n    minio_endpoint: str,\n    minio_access_key:\
+          \ str,\n    minio_secret_key: str,\n    dataset_path: str,\n    model_name:\
+          \ str = \"emilyalsentzer/Bio_ClinicalBERT\",\n    epochs: int = 3,\n   \
+          \ learning_rate: float = 2e-5,\n    batch_size: int = 16\n) -> str:\n  \
+          \  \"\"\"Create training configuration file.\"\"\"\n    import json\n  \
+          \  import boto3\n    from datetime import datetime\n\n    config = {\n \
+          \       \"created_at\": datetime.utcnow().isoformat(),\n        \"dataset\"\
+          : {\n            \"path\": dataset_path,\n            \"format\": \"json\"\
+          ,\n            \"text_field\": \"text\",\n            \"label_field\": \"\
+          label\"\n        },\n        \"model\": {\n            \"base_model\": model_name,\n\
+          \            \"num_labels\": 5,\n            \"label_names\": [\"none\"\
+          , \"minor\", \"moderate\", \"major\", \"contraindicated\"]\n        },\n\
+          \        \"training\": {\n            \"epochs\": epochs,\n            \"\
+          learning_rate\": learning_rate,\n            \"batch_size\": batch_size,\n\
+          \            \"warmup_steps\": 100,\n            \"weight_decay\": 0.01,\n\
+          \            \"fp16\": True,\n            \"evaluation_strategy\": \"epoch\"\
+          ,\n            \"save_strategy\": \"epoch\"\n        },\n        \"output\"\
+          : {\n            \"model_path\": \"models/ddi-detector\",\n            \"\
+          metrics_path\": \"models/ddi-detector/metrics.json\"\n        }\n    }\n\
+          \n    s3 = boto3.client(\n        's3',\n        endpoint_url=minio_endpoint,\n\
+          \        aws_access_key_id=minio_access_key,\n        aws_secret_access_key=minio_secret_key,\n\
+          \        region_name='us-east-1'\n    )\n\n    config_json = json.dumps(config,\
+          \ indent=2)\n    config_path = \"configs/ddi_training_config.json\"\n\n\
+          \    s3.put_object(\n        Bucket='training-data',\n        Key=config_path,\n\
+          \        Body=config_json.encode('utf-8'),\n        ContentType='application/json'\n\
+          \    )\n\n    print(f\"\u2705 Training config saved to training-data/{config_path}\"\
+          )\n    print(f\"   Model: {model_name}\")\n    print(f\"   Epochs: {epochs}\"\
+          )\n    print(f\"   Learning rate: {learning_rate}\")\n\n    return f\"s3://training-data/{config_path}\"\
+          \n\n"
+        image: python:3.11-slim
+pipelineInfo:
+  description: Prepare DDI training data and configuration
+  name: ddi-data-preparation
+root:
+  dag:
+    tasks:
+      create-ddi-dataset:
+        cachingOptions:
+          enableCache: true
+        componentRef:
+          name: comp-create-ddi-dataset
+        inputs:
+          parameters:
+            minio_access_key:
+              runtimeValue:
+                constant: minioadmin
+            minio_endpoint:
+              componentInputParameter: minio_endpoint
+            minio_secret_key:
+              runtimeValue:
+                constant: minioadmin123!
+            output_path:
+              runtimeValue:
+                constant: ddi_train.json
+        taskInfo:
+          name: create-ddi-dataset
+      create-training-config:
+        cachingOptions:
+          enableCache: true
+        componentRef:
+          name: comp-create-training-config
+        dependentTasks:
+        - create-ddi-dataset
+        inputs:
+          parameters:
+            dataset_path:
+              taskOutputParameter:
+                outputParameterKey: Output
+                producerTask: create-ddi-dataset
+            epochs:
+              componentInputParameter: epochs
+            learning_rate:
+              componentInputParameter: learning_rate
+            minio_access_key:
+              runtimeValue:
+                constant: minioadmin
+            minio_endpoint:
+              componentInputParameter: minio_endpoint
+            minio_secret_key:
+              runtimeValue:
+                constant: minioadmin123!
+            model_name:
+              componentInputParameter: model_name
+        taskInfo:
+          name: create-training-config
+  inputDefinitions:
+    parameters:
+      epochs:
+        defaultValue: 3.0
+        isOptional: true
+        parameterType: NUMBER_INTEGER
+      learning_rate:
+        defaultValue: 2.0e-05
+        isOptional: true
+        parameterType: NUMBER_DOUBLE
+      minio_endpoint:
+        defaultValue: http://minio.minio.svc.cluster.local:9000
+        isOptional: true
+        parameterType: STRING
+      model_name:
+        defaultValue: emilyalsentzer/Bio_ClinicalBERT
+        isOptional: true
+        parameterType: STRING
+schemaVersion: 2.1.0
+sdkVersion: kfp-2.15.2

pipelines/ddi_data_prep.py

@@ -0,0 +1,210 @@
+"""
+DDI Data Preparation Pipeline
+
+Prepares training data for DDI detection model.
+Training can be triggered manually on RunPod or any GPU environment.
+"""
+from kfp import dsl
+from kfp import compiler
+
+
+@dsl.component(
+    base_image="python:3.11-slim",
+    packages_to_install=["boto3", "requests"]
+)
+def create_ddi_dataset(
+    minio_endpoint: str,
+    minio_access_key: str,
+    minio_secret_key: str,
+    output_path: str = "ddi_train.json"
+) -> str:
+    """Create DDI training dataset and upload to MinIO."""
+    import json
+    import boto3
+    
+    # DDI training data (drug pairs with interaction severity)
+    # Labels: 0=none, 1=minor, 2=moderate, 3=major, 4=contraindicated
+    training_data = [
+        # Major interactions
+        {"text": "Patient taking warfarin and aspirin together", "label": 3},
+        {"text": "Concurrent use of simvastatin and amiodarone", "label": 3},
+        {"text": "Methotrexate and NSAIDs used together", "label": 3},
+        {"text": "Ciprofloxacin and theophylline interaction", "label": 3},
+        {"text": "Digoxin and amiodarone combination therapy", "label": 3},
+        {"text": "Lithium and ACE inhibitors together", "label": 3},
+        
+        # Contraindicated
+        {"text": "Fluoxetine and tramadol co-administration", "label": 4},
+        {"text": "SSRIs with MAO inhibitors", "label": 4},
+        {"text": "Benzodiazepines with opioids", "label": 4},
+        {"text": "Metronidazole and alcohol consumption", "label": 4},
+        {"text": "Linezolid with serotonergic drugs", "label": 4},
+        
+        # Moderate
+        {"text": "Patient prescribed omeprazole with clopidogrel", "label": 2},
+        {"text": "Atorvastatin given with diltiazem", "label": 2},
+        {"text": "ACE inhibitor with potassium supplement", "label": 2},
+        {"text": "Metformin with contrast dye procedures", "label": 2},
+        
+        # Minor
+        {"text": "Levothyroxine taken with calcium supplements", "label": 1},
+        {"text": "Antacids with oral antibiotics timing", "label": 1},
+        {"text": "Iron supplements with dairy products", "label": 1},
+        
+        # No interaction
+        {"text": "Metformin administered with lisinopril", "label": 0},
+        {"text": "Amlodipine with metoprolol combination", "label": 0},
+        {"text": "Omeprazole and acetaminophen together", "label": 0},
+        {"text": "Vitamin D with calcium supplements", "label": 0},
+    ]
+    
+    # Upload to MinIO
+    s3 = boto3.client(
+        's3',
+        endpoint_url=minio_endpoint,
+        aws_access_key_id=minio_access_key,
+        aws_secret_access_key=minio_secret_key,
+        region_name='us-east-1'
+    )
+    
+    data_json = json.dumps(training_data, indent=2)
+    s3.put_object(
+        Bucket='datasets',
+        Key=output_path,
+        Body=data_json.encode('utf-8'),
+        ContentType='application/json'
+    )
+    
+    print(f"✅ Uploaded {len(training_data)} samples to datasets/{output_path}")
+    print(f"   - Contraindicated: {sum(1 for d in training_data if d['label'] == 4)}")
+    print(f"   - Major: {sum(1 for d in training_data if d['label'] == 3)}")
+    print(f"   - Moderate: {sum(1 for d in training_data if d['label'] == 2)}")
+    print(f"   - Minor: {sum(1 for d in training_data if d['label'] == 1)}")
+    print(f"   - None: {sum(1 for d in training_data if d['label'] == 0)}")
+    
+    return f"s3://datasets/{output_path}"
+
+
+@dsl.component(
+    base_image="python:3.11-slim",
+    packages_to_install=["boto3"]
+)
+def create_training_config(
+    minio_endpoint: str,
+    minio_access_key: str,
+    minio_secret_key: str,
+    dataset_path: str,
+    model_name: str = "emilyalsentzer/Bio_ClinicalBERT",
+    epochs: int = 3,
+    learning_rate: float = 2e-5,
+    batch_size: int = 16
+) -> str:
+    """Create training configuration file."""
+    import json
+    import boto3
+    from datetime import datetime
+    
+    config = {
+        "created_at": datetime.utcnow().isoformat(),
+        "dataset": {
+            "path": dataset_path,
+            "format": "json",
+            "text_field": "text",
+            "label_field": "label"
+        },
+        "model": {
+            "base_model": model_name,
+            "num_labels": 5,
+            "label_names": ["none", "minor", "moderate", "major", "contraindicated"]
+        },
+        "training": {
+            "epochs": epochs,
+            "learning_rate": learning_rate,
+            "batch_size": batch_size,
+            "warmup_steps": 100,
+            "weight_decay": 0.01,
+            "fp16": True,
+            "evaluation_strategy": "epoch",
+            "save_strategy": "epoch"
+        },
+        "output": {
+            "model_path": "models/ddi-detector",
+            "metrics_path": "models/ddi-detector/metrics.json"
+        }
+    }
+    
+    s3 = boto3.client(
+        's3',
+        endpoint_url=minio_endpoint,
+        aws_access_key_id=minio_access_key,
+        aws_secret_access_key=minio_secret_key,
+        region_name='us-east-1'
+    )
+    
+    config_json = json.dumps(config, indent=2)
+    config_path = "configs/ddi_training_config.json"
+    
+    s3.put_object(
+        Bucket='training-data',
+        Key=config_path,
+        Body=config_json.encode('utf-8'),
+        ContentType='application/json'
+    )
+    
+    print(f"✅ Training config saved to training-data/{config_path}")
+    print(f"   Model: {model_name}")
+    print(f"   Epochs: {epochs}")
+    print(f"   Learning rate: {learning_rate}")
+    
+    return f"s3://training-data/{config_path}"
+
+
+@dsl.pipeline(
+    name="ddi-data-preparation",
+    description="Prepare DDI training data and configuration"
+)
+def ddi_data_prep_pipeline(
+    model_name: str = "emilyalsentzer/Bio_ClinicalBERT",
+    epochs: int = 3,
+    learning_rate: float = 2e-5,
+    minio_endpoint: str = "http://minio.minio.svc.cluster.local:9000",
+):
+    """
+    Data preparation pipeline:
+    1. Create DDI training dataset
+    2. Generate training configuration
+    
+    After this completes, run training manually on RunPod:
+    ```
+    python train.py --config s3://training-data/configs/ddi_training_config.json
+    ```
+    """
+    minio_access_key = "minioadmin"
+    minio_secret_key = "minioadmin123!"
+    
+    # Create dataset
+    dataset_task = create_ddi_dataset(
+        minio_endpoint=minio_endpoint,
+        minio_access_key=minio_access_key,
+        minio_secret_key=minio_secret_key,
+        output_path="ddi_train.json"
+    )
+    
+    # Create config
+    config_task = create_training_config(
+        minio_endpoint=minio_endpoint,
+        minio_access_key=minio_access_key,
+        minio_secret_key=minio_secret_key,
+        dataset_path=dataset_task.output,
+        model_name=model_name,
+        epochs=epochs,
+        learning_rate=learning_rate
+    )
+
+
+if __name__ == "__main__":
+    compiler.Compiler().compile(
+        pipeline_func=ddi_data_prep_pipeline,
+        package_path="ddi_data_prep.yaml"
+    )
+    print("Pipeline compiled to ddi_data_prep.yaml")

pipelines/ddi_training_runpod.py

@@ -198,8 +198,8 @@ def ddi_training_pipeline(
     learning_rate: float = 2e-5,
     model_version: str = "v1",
     
-    # MinIO settings - use internal cluster service URL
-    minio_endpoint: str = "http://minio.minio.svc.cluster.local:9000",
+    # MinIO settings - use Tailscale endpoint
+    minio_endpoint: str = "https://minio.walleye-frog.ts.net",
 ):
     """
     Full DDI training pipeline: