BorgwardtLab / proteinshake

Protein structure datasets for machine learning.
https://proteinshake.ai
BSD 3-Clause "New" or "Revised" License
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add numpy support #98

Closed pjhartout closed 2 years ago

pjhartout commented 2 years ago

Pipeline fails at the dataset level for some reason. test_framework.py works locally.

timkucera commented 2 years ago

The voxel data is very sparse and will take a lot of space on disk, can you implement a sparse version (compare e.g. the torch one)?