ddsim
AI-driven adaptive molecular dynamics simulation framework
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0.2.1
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Description
DeepDriveSim (DDSim) couples AI-driven steering with ensemble
molecular dynamics workflows, built on RHAPSODY and
RADICAL-AsyncFlow. The optional Dragon backend is installed
separately (pip install dragonhpc).
About
Summary
AI-driven adaptive molecular dynamics simulation framework
Last Updated
Sep 14, 2026 at 10:28
License
MIT
Supported Platforms
noarch
GitHub Repository
https://github.com/radical-collaboration/DeepDriveSimDocumentation
https://radical-collaboration.github.io/DeepDriveSim/