Kiwoong Yoo

Having problems with environment.yml

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Hi! Thanks for the code . I'm having issues with the environment error: command 'gcc' failed with exit status 1 ---------------------------------------- ERROR: Command errored out with exit status 1: /home/********/anaconda3/envs/DEG2/bin/python...

protein conformation

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Hi! Thanks for the nice paper. In the paper you mentioned protein conformation is a difficult task with this model. Can you explain why linearity of proteins can be an...

can you get the coordinates directly?

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Hi guys. According to your paper, maybe you guys had some difficulty getting the coordinates directly. I'm trying to modify your code for the docking pose prediction model to **make...

hi all, the train, valid.lmdb contains pdb and smiles that are not included in casp. may i ask where it is from?

question regarding clustering_coords

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hi team. I'm trying to create docking interaction database similar to yours. 1) in clustering coords M=1000, N=100. is this necessary? Would it be ok to say M=100 and N=10?...

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...

conditional generation?

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Hi, great work by the way. Have you tried conditional generation like targetdiff? Thanks