RuntimeError: mat1 and mat2 shapes cannot be multiplied (185x18 and 19x56)

[longfei8533]

when i run the follow code in examples/prediction_example_using_PDB_6hd6.ipynb and examples/high_throughput_virtual_screening_LRRK2_WDR.ipynb:

for data in tqdm(data_loader):
    data = data.to(device)
    y_pred, affinity_pred = model(data)
    affinity_pred_list.append(affinity_pred.detach().cpu())
    if False:
        # we don't need to save the predicted distance map in HTVS setting.
        for i in range(data.y_batch.max() + 1):
            y_pred_list.append((y_pred[data['y_batch'] == i]).detach().cpu())

return a error
RuntimeError: mat1 and mat2 shapes cannot be multiplied (185x18 and 19x56)

[longfei8533]

The problem is resolved. The following environment is required :

torchdrug==0.1.2
torch==1.13.1

Thanks! @luwei0917