INNER CODE UNIT · Python

centroid_dis

QizhiPei/FABind · FABind/fabind/main_fabind.py:412

        centroid_dis = (centroid_pred - centroid_true).norm(dim=-1)
        
        loss = com_coord_loss + \
            contact_loss + contact_by_pred_loss + contact_distill_loss + \
            pocket_cls_loss + \
            pocket_coord_loss
        
        accelerator.backward(loss)
        if args.clip_grad:
            # clip_grad_norm_(model.parameters(), max_norm=1.0, error_if_nonfinite=True)
            if accelerator.sync_gradients:
                accelerator.clip_grad_norm_(model.parameters(), max_norm=1.0)
        
        optimizer.step()
        scheduler.step()

        batch_loss += len(y_pred)*contact_loss.item()
        batch_by_pred_loss += len(y_pred_by_coord)*contact_by_pred_loss.item()

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