Feature/basic vae - Githubissues

braceal / molecules

Machine learning for molecular dynamics.

MIT License

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Feature/basic vae #86

Closed braceal closed 3 years ago

braceal commented 3 years ago

Updates

Added Linear VAE model.
Added Linear AutoEncoder model.
Updated ContactMapDataset to return a dictionary to generalize the scalar fields.
Updated SaveEmbeddingsCallback callback to save indices and arbitrary scalar fields.
Updated TSNEPlotCallback to paint arbitrary scalar fields.

Interface Changes

SaveEmbeddingsCallback and ContactMapDataset now take scalar_dset_names parameter specifying a list of scalar dataset names.