Freyr Sverrisson

Hi Andy, Sorry the requirements file is not working for you, it can be a bit tricky to get PyG+KeOps to work well together. I'll attach to this message a...

Hi @phdymz, If I understand you correctly you're asking where the ply files come from. In dMaSIF we only really use the ply files for comparison to the generated point...

Hi @ngszyba, What @rmwu is absolutely correct. The first 16 values are the "input features" consisting of 10 mean and gaussian curvatures at different scales + 6 learned chemical features,...

Hi @linminhtoo, You're absolutely right, we generate the surfaces of a batch but then iterate individually through them. The reason for this is that I found that during training a...