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Dynamic loading on data #81

Description

@penfoldtj

We can generate some large training sets now - but then run into memory issues. It would be good to implement an option for dynamic loading of batches during learning - so everything is not held in memory all the time.

  • Covert multiple .xyz files into a single HDF5 file
  • Implement a class to load structures dynamically from HDF5
  • Integrate the new dataset with Dataloader for batch loading

Activity

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