MinkaiXu / GeoDiff

Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
MIT License
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Question about zero CoM #24

Open AndChenCM opened 1 year ago

AndChenCM commented 1 year ago

Hi Minkai,

I've recently started reading your excellent work, and I noticed that the concept of zero CoM is crucial for ensuring the invariance of the generation process. However, while reviewing the provided code, I couldn't find the part where you perform the 'translate C to zero CoM' operation. Could you kindly point me to the relevant section in the code? Thanks a lot.