ehoogeboom/e3_diffusion_for_molecules

Turning off equivariance?

MilesCranmer opened this issue · 3 comments

MilesCranmer commented

Hi @ehoogeboom,
Great project! I am interested in trying it on an astronomy problem. Here, we have a point cloud of particles, but we don't care about their positions – only their properties. Therefore, I was wondering if there is a way I can turn off the equivariance module? i.e., only generate particles and their features, without worrying about their positions?
Thanks!
Miles

ehoogeboom commented

Think I answered this somewhere in email at some point, closing. Feel free to reopen if mistaken

MilesCranmer commented

I think you did, yes. But it might also be useful if you paste your answer here, as then it will be indexed by google rather than hidden in our email convo.

Ala1s commented

@MilesCranmer @ehoogeboom could you please share how to turn off equivariance, I would like to apply this model for my use case, where I also don't need equivariance