can I get point clouds?

gnina / libmolgrid

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

https://gnina.github.io/libmolgrid/

Apache License 2.0

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can I get point clouds? #80

Open likun1212 opened 2 years ago

likun1212 commented 2 years ago

Hi Nice wrok! I am wondeing is there a way that I can get grids information(point clouds) instead of voxel, namely the infomation before voxelization. thanks in advance.

dkoes commented 2 years ago

The CoordinateSets objects have the coordinates in them.