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RelayMD

RelayMD is a distributed orchestration system for long-running molecular dynamics workloads across HPC and cloud GPU capacity; project design and implementation decisions are split across focused documents in docs/.

Start reading with: - Core Architecture - Job Lifecycle - Tech Stack & Development Guidelines - Deployment Guide

Live Documentation

The full documentation is deployed to GitHub Pages at https://ballaneypranav.github.io/RelayMD/.

Containers

RelayMD publishes both worker and orchestrator images to GHCR:

  • ghcr.io/<org>/relaymd-worker:<tag>
  • ghcr.io/<org>/relaymd-orchestrator:<tag>

Use immutable sha-<shortsha> tags for deploys.

Build and push commands:

make docker-build-worker ORG=<org>
make docker-push-worker ORG=<org>
make docker-build-orchestrator ORG=<org>
make docker-push-orchestrator ORG=<org>