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DeepGraphLearning / GearNet

GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
MIT License
253 stars 28 forks source link

Seeking help for dataset #60

Open zsc2003 opened 3 months ago

zsc2003 commented 3 months ago

Hi, thank you so much for your outstanding work!

I'm interested in your models and would like to run them on. Could you please tell me how to generate or download your EC, GO, and FC dataset?

Thank you!

Oxer11 commented 3 months ago

Hi, please find the datasets here (https://zenodo.org/records/7593591), or you can use the code to download it automatically. Also, a processed version can be found in the CDConv repo (https://github.com/hehefan/Continuous-Discrete-Convolution).

zsc2003 commented 3 months ago

Thank you so much for providing help. But I noticed that the downloaded dataset only container the PDB files, could you please tell me how I could find or generate the labels of each PDB for each of there tasks? Thank you!

Oxer11 commented 3 months ago

Hi, could you please re-check the downloaed files? There should be a file called nrPDB-EC_annot.tsv in the EnzymeCommission.zip file, which contains the labels.

zsc2003 commented 3 months ago

Thank you so much.