Molgrid

Latest version: v0.5.5

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0.5.5

Addition of MolIterDataset for better integration with pytorch. CUDA 12.5 compatibility.

0.5.4

Add ability to save and load memory caches from example provider.

0.5.3

Minor build and API improvements.

0.5.2

Expose CoordCache in python interface to make it easier to efficiently read molecular data without using types files.

Minor fixes for modern compilers.

0.5.1

Minor tweaks from 0.5 (which provided grid interp support) for better handling of multiple devices and better documentation/error messages.

0.2.1

Bug fixes

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