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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

Custom dataset. Data preprocessing #52

Open Chicky-Picky opened 8 months ago

Chicky-Picky commented 8 months ago

Thank you so much for your outstanding work!

I'm interested in your models and would like to run them on some custom datasets. Unfortunately, I haven't found any instructions on how to preprocess the raw data. Could you please tell me whether it is possible to run your models on custom datasets? And if so, where can I find your preprocessing script?

Thank you!

Oxer11 commented 8 months ago

Hi!

To define your custom datasets, you can refer to this page. Basicly, you need to define how to load your dataset with the data.ProteinDataset. load_pdbs function and save it as a pickle file. Also, you need to define how to load the labels and get the items.