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Oxer11 authored Feb 25, 2023
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## News

- [2023/02/25] The code for GearNet_Edge_IEConv & Fold3D dataset has been released.

- [2023/02/01] Our paper has been accepted by ICLR'2023! We have released the pretrained model weights [here](https://zenodo.org/record/7593637).

- [2022/11/20] We add the scheduler in the `downstream.py` and provide the config file for training GearNet-Edge with single GPU on EC. Now you can reproduce the results in the paper.
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```bash
# Run GearNet on the Enzyme Comission dataset with 4 gpus
python -m torch.distributed.launch --nproc_per_node=4 script/downstream.py -c config/downstream/EC/gearnet.yaml --gpus [0,1,2,3]
```

# Run GearNet_Edge_IEConv on the Fold3D dataset with 4 gpus
# You need to first install the latest version of torchdrug from source. See https://github.com/DeepGraphLearning/torchdrug.
python -m torch.distributed.launch --nproc_per_node=4 script/downstream.py -c config/downstream/Fold3D/gearnet_edge_ieconv.yaml --gpus [0,1,2,3]
```

### Pretraining and Finetuning
By default, we will use the AlphaFold Datase for pretraining.
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