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JK-Liu7 / AttentionMGT-DTA

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unable to find Pocket_graphs #5

Open divyavani01 opened 6 months ago

divyavani01 commented 6 months ago

while running protein_process.py, I am facing an issue inside the Protein_graph_process(dataset, fold, dir_output, id_train, id_test) function. I did not find any code which helps to generate pocket_graphs. can someone help me out to know how are the pocket_graphs generated.......in the file protein_process.py the code is loading pocket graphs and at the below pasted line i am facing error.

protein_graphtrain, = load_graphs('data/' + dataset + '/processed' + '/pocket_graph/' + str(id) + '.bin')

Lucky-Stark-01 commented 6 months ago

Yeah, I'm also facing similar problem. I couldn't find the pocket graph .bin files after preprocessing the protein file. protein_graphtrain, = load_graphs('data/' + dataset + '/processed' + '/pocket_graph/' + str(id) + '.bin')

ravivarmapatturi commented 6 months ago

how to generate pocket_graph bin files ?? I'm facing issue while running protein_process.py file .

protein_graphtrain, = load_graphs('data/' + dataset + '/processed' + '/pocket_graph/' + str(id) + '.bin')

JK-Liu7 commented 3 months ago

Thank you for your interest in our work. The generated ‘pocket_graph’ file has been uploaded.

divyavani01 commented 1 month ago

ValueError: setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (19964,) + inhomogeneous I got above error while running protein_process.py @JK-Liu7 how to resolve above issue.