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ramanathanlab
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mdlearn
Machine learning for molecular dynamics
MIT License
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#40
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braceal
closed
3 years ago
braceal
commented
3 years ago
Updates
Support for LSTMAE and LSTM time series prediction network (though they are still under development, see docs)
Add plotting option for raw embeddings
Add optional latent space plotting
Test suite
ANCA-AE example with spike protein data
TimeSeriesVectorDataset for multivariate time series
Add dataset partitions to available split methods
LinearAE interface update:
neurons
is now
hidden_neurons
LinearAE raises helpful error if output_path is passed incorrectly
Embedding codes for LinearAE are now returned before the activation function is applied (embeddings can be negative)
Using latest h5py version
Updates
neurons
is nowhidden_neurons