Kevin Ryczko comments

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                                            Kevin Ryczko

Add the ability to read directly from hdf5 files (for large datasets) as well as numpy arrays.

My apologies, what I meant by multiple workers is using MongoDB with multiple workers with the KMongoTrials function. I'll generate some sample data, and add your suggested changes.

Add the ability to read directly from hdf5 files (for large datasets) as well as numpy arrays.

Okay, so finally got around to this. I could not use the dataset currently being used to test based on the formats of the data, so I used a cifar10...

Add the ability to read directly from hdf5 files (for large datasets) as well as numpy arrays.

How should I run them locally? Kevin > On Jan 3, 2019, at 1:55 PM, Žiga Avsec wrote: > > @kryczko do the tests work for you locally? Seems that...

Error when using pytorch lightning

I am still getting the same issue I showed above while using an ANI model within pytorch lightning. Any ideas how to fix it?

Units

i believe the coordinates are in units of Angstrom, along with the forces. @isayev could you correct me if I am wrong?