SINAPSE SDK

The SINAPSE SDK is a curated collection of software components for AI-coupled HPC workflows, developed by the SINAPSE project (Scalable INfrastructure for AI-coupled Predictive Simulation Enhancement, NSF award 2514139).

The SDK curates existing components and provides common packaging, testing, documentation, and deployment across them, with well-defined integration points between the components.

Components

The initial SDK release targets the following components:

• RHAPSODY — unified AI+HPC runtime supporting services alongside tasks (extends RADICAL-Pilot)
• AsyncFlow — asynchronous workflow layer
• Rootstock — interchangeable containerized AI models
• Seekrflow — biomolecular rate-constant estimation
• QuAcc — quantum chemistry workflow recipes
• DeepDriveSim — Deep learning-driven Adaptive Simulations

Components are classed as core, associated, or external; the set of covered integrations will grow over subsequent releases.

Maturity levels

• L0 — technologies individually collected: uniform documentation, packaging, testing, and processes
• L1 — components interoperate via pointwise, tool-specific integrations
• L2 — sustainable integration: well-defined APIs and integration points, deeply configurable

Installation

Packaging is planned for pip, conda, and Spack under a common namespace. Once released:

pip install sinapse-sdk

Documentation

Documentation lives in docs/ and is built with Sphinx; it is published to GitHub Pages and configured for hosting on ReadTheDocs (.readthedocs.yaml). See also the project website.

License

The SINAPSE SDK is released under the MIT license. Individual components retain their own licenses.

Acknowledgment

This work is supported by the National Science Foundation under award 2514139 (collaborative award; Rutgers University, University of Chicago, Princeton University, UC San Diego).

SDK Components

Rhapsody

• Repo: https://github.com/radical-cybertools/rhapsody/
• Docs: https://radical-cybertools.github.io/rhapsody/
• Pypi: https://pypi.org/project/rhapsody-py/

Seekrflow

• Repo: https://github.com/seekrcentral/seekrflow
• Docs: https://seekrflow.readthedocs.io/en/latest/
• Seekr Docs: https://seekr.readthedocs.io/en/latest/

DeepDriveSim

• Repo: https://github.com/radical-collaboration/DeepDriveSim
• Docs: https://radical-collaboration.github.io/DeepDriveSim/