Implement version with keras-cvae and DBSCAN - Githubissues

DeepDriveMD / DeepDriveMD-pipeline

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations

MIT License

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Implement version with keras-cvae and DBSCAN #18

Closed braceal closed 3 years ago

braceal commented 3 years ago

[x] Add new ML model with keras CVAE implementation.
[x] Add new agent with DBSCAN (using rapidsai)
[x] Update model selection function to handle keras checkpoints
[x] Fix ML environment issue during integration test
[x] Add timers time.perf_counter()