DeepDriveMD / DeepDriveMD-pipeline

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations
MIT License
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retrain_freq bug #17

Closed braceal closed 3 years ago

braceal commented 3 years ago

retrain_freq would allow the ML stage to only run on certain DDMD iterations. This optimization would make it easier to train a model from scratch without needing a pretrained model. The current problem is that the agent stage requires the model_selection stage to run each iteration where it expects a trained model at each iteration. This can be fixed by passing retrain_freq to the model_selection stage so it knows when to update the latest model weights versus when to use old model weights.

braceal commented 3 years ago

Done.