search

isayev / ANI1_dataset

A data set of 20 million calculated off-equilibrium conformations for organic molecules
MIT License
96 stars 18 forks source link

fixed issue with Dataset #10

Open jmwoll opened 2 years ago

jmwoll commented 2 years ago

fixes the issue AttributeError: 'Dataset' object has no attribute 'value'

As described in this SO thread: https://stackoverflow.com/questions/67409919/attributeerror-dataset-object-has-no-attribute-value

this will occur for h5py > 2.9.0. Current version is 3.7.0!