CASF-2016 file missing tsv

SimonCrouzet / g-plip

Repository for G-PLIP (paper "Knowledge graph neural network for structure-free protein-ligand affinity prediction")

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CASF-2016 file missing tsv #1

Closed AlaaBessadok closed 10 months ago

AlaaBessadok commented 10 months ago

Dear authors, I tried to run your code with the existing dataset mentioned in the readme file, but I got this FileNotFoundError: [Errno 2] No such file or directory: 'data/CASF-2016/20230627_casf_human-proteins_idmapping.tsv' when executing python -m scripts.construct_pdbbind.py I downloaded the CASF-2016 dataset twice and did not find the file inside the folder. Any recommendations, please? Many thanks in advance!

SimonCrouzet commented 10 months ago

Hello @AlaaBessadok,

Thanks for your message and your interest!

It indeed seems we were missing a file, my apologies for that. I fixed the issue (commit 7bea48d), you may want to try again after pulling the changes.

Best,