DecompDiff

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i am trying to sample with num_atoms= 'stat'. i suppose this is only possible in beta_prior? this part raises an error(commented). Is this correct? # armsca_res = [d - r...

orgw

how to define given protein pockets for sampling molecules in command line

1

hi, thanks for your higly interesting work. could you please provide some instruction how to define given protein pockets for sampling molecules in command line? ```bash python scripts/sample_diffusion_decomp.py configs/sampling_drift.yml \...

MachineGUN001

Thanks for the brilliant work and sharing the code. I'm curious about where the code corresponding to appendix A (Pocket Prior Centers) is located. Thank you Best regards.

hello-maker

Hi dear authors, I noticed that the JSD of bond angles metric was both reported in the paper and in the repository, however there was no available code/config provided in...

Curtis-Wu