madsci.data_manager 0.5.2

The Modular Autonomous Discovery for Science (MADSci) Data Manager.

MADSci Data Manager

Handles capturing, storing, and querying data generated during experiments - both JSON values and files.

Features

• DataPoint storage: JSON values and files with metadata
• Flexible storage: Local filesystem or S3-compatible object storage (MinIO, AWS S3, GCS)
• Rich metadata: Ownership info, timestamps, custom labels
• Queryable: Search by value and metadata
• Cloud integration: Multi-provider cloud storage support

Installation

See the main README for installation options. This package is available as:

• PyPI: pip install madsci.data_manager
• Docker: Included in ghcr.io/ad-sdl/madsci
• Example configuration: See example_lab/managers/example_data.manager.yaml

Dependencies: MongoDB database, optional MinIO/S3 storage (see example_lab)

Usage

Quick Start

Use the example_lab as a starting point:

# Start with working example
docker compose up  # From repo root
# Data Manager available at http://localhost:8004/docs

# Or run standalone
python src/madsci_data_manager/madsci/data_manager/data_server.py

Manager Setup

For custom deployments, see example_data.manager.yaml for configuration options.

Data Client

Use DataClient to store and retrieve experimental data:

from madsci.client.data_client import DataClient
from madsci.common.types.datapoint_types import DataPoint, DataPointTypeEnum
from datetime import datetime

client = DataClient(data_server_url="http://localhost:8004")

# Store JSON data
value_dp = DataPoint(
    label="Temperature Reading",
    data_type=DataPointTypeEnum.JSON,
    value={"temperature": 23.5, "unit": "Celsius"}
)
submitted = client.submit_datapoint(value_dp)

# Store files
file_dp = DataPoint(
    label="Experiment Log",
    data_type=DataPointTypeEnum.FILE,
    path="/path/to/data.txt"
)
submitted_file = client.submit_datapoint(file_dp)

# Retrieve data
retrieved = client.get_datapoint(submitted.datapoint_id)

# Save file locally
client.save_datapoint_value(submitted_file.datapoint_id, "/local/save/path.txt")

Examples: See example_lab/notebooks/experiment_notebook.ipynb for data management workflows.

Storage Configuration

Local Storage (Default)

• Files stored on filesystem with date-based hierarchy
• Simple setup, no additional dependencies
• File paths stored in MongoDB database

Object Storage (S3-Compatible)

Supports cloud and self-hosted storage providers:

• AWS S3
• Google Cloud Storage (with HMAC keys)
• MinIO (self-hosted or cloud)
• Any S3-compatible service

Benefits:

• Automatic upload with fallback to local storage
• Better for large files and distributed setups
• Built-in metadata and versioning support

Quick Setup

# Use example_lab with pre-configured MinIO
docker compose up  # From repo root
# MinIO Console: http://localhost:9001 (minioadmin/minioadmin)

Configuration Examples

AWS S3:

from madsci.common.types.datapoint_types import ObjectStorageSettings

aws_config = ObjectStorageSettings(
    endpoint="s3.amazonaws.com",
    access_key="YOUR_ACCESS_KEY",
    secret_key="YOUR_SECRET_KEY",
    secure=True,
    default_bucket="my-bucket",
    region="us-east-1"
)
client = DataClient(object_storage_settings=aws_config)

Google Cloud Storage:

gcs_config = ObjectStorageSettings(
    endpoint="storage.googleapis.com",
    access_key="YOUR_HMAC_ACCESS_KEY",
    secret_key="YOUR_HMAC_SECRET",
    secure=True,
    default_bucket="my-gcs-bucket"
)

Direct Object Storage DataPoints

from madsci.common.types.datapoint_types import DataPoint, DataPointTypeEnum

storage_dp = DataPoint(
    label="Large Dataset",
    data_type=DataPointTypeEnum.OBJECT_STORAGE,
    path="/path/to/data.parquet",
    bucket_name="my-bucket",
    object_name="datasets/data.parquet",
    custom_metadata={"version": "v2.1"}
)
uploaded = client.submit_datapoint(storage_dp)

Authentication: Use IAM users/service accounts with appropriate storage permissions. See cloud provider documentation for detailed setup.