RuntimeError: mat1 and mat2 shapes cannot be multiplied (185x18 and 19x56)
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longfei8533 commented
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 commented
The problem is resolved. The following environment is required :
torchdrug==0.1.2
torch==1.13.1
Thanks! @luwei0917