LPDI-EPFL / masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Apache License 2.0
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Generating Geometric Data #34

Open dmshah4 opened 3 years ago

dmshah4 commented 3 years ago

Hi,

Thanks for showing your work on MASIF. I was trying to understand the process a little more in depth, in particular how the angular and radial coordinates for each patch were generated and used. However, in the masif->source->data preparation section, the README mentions the files that I should look for, but the files from 02, 03, 03b from that README are missing in the github. Thus I cannot see the code for generating this geometric data.

If you could please upload these missing files, I'd greatly appreciate it!

Thank you Devesh