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ramanathanlab / mdlearn

Machine learning for molecular dynamics
MIT License
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Feature/aae3d #5

Closed braceal closed 3 years ago

braceal commented 3 years ago
  1. Add AAE model
  2. Add PointCloudDataset class
  3. Update checkpoint util functions to work with multiple optimizers
  4. Update documentation with AAE, PointCloudDataset, WAE models.
  5. Move dataset/dataloader initializations right after random seed setup in example scripts to avoid reproducibility issues with changing the number of model parameters.