spyrmsd dependency, why not installed with pip ?

gcorso / DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

https://arxiv.org/abs/2210.01776

MIT License

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Closed polo9719 closed 1 month ago

polo9719 commented 2 months ago

Hi,

I was wondering why the spyrmsd package code is copied/pasted into the Diffdock repo instead of just being installed with pip?

Are there any changes in the Diffdock code of the library?

Thanks in advance, Paul

gcorso commented 2 months ago

Hi, yes we made a few changes