braceal / molecules

Machine learning for molecular dynamics.
MIT License
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Feature/plotly tsne #83

Closed braceal closed 3 years ago

braceal commented 3 years ago

Added plotly backend for tsne plot. Creates HTML strings with an interactive scatter plot and logs them to wandb and saves the HTML to disk during training.

Added molecules.data.utils functions for parsing, concatenating and creating virtual HDF5 files.

Python black style updates.