SINAPSE SDK
Components
RHAPSODY
AsyncFlow
Seekrflow
QuAcc
Rootstock
DeepDriveSim
Integration examples
Silicon phonons with QuAcc and Rootstock
Prerequisites
The phonon calculation workflow
Plot the comparison
Results
Adaptive MD campaign with DeepDriveSim
Prerequisites
How the control loop works
Key abstractions
Methods a subclass must implement
Running the tutorial workflow
Plugging in a real simulation code
Switching to HPC (Dragon backend)
What the adaptive loop delivers
Protein-ligand kinetics with Seekrflow
Prerequisites
Install
Run Example
SINAPSE SDK
Index
Index