52c7ef49fcdf7f5f029c99e6db27e420a3621815,examples/pytorch/model_zoo/chem/property_prediction/regression.py,,main,#Any#,56

Before Change

        model = model_zoo.chem.SchNet(norm=args["norm"], output_dim=args["output_dim"])
        model.set_mean_std(train_set.mean, train_set.std, args["device"])
    elif args["model"] == "MGCN":
        model = model_zoo.chem.MGCNModel(norm=args["norm"], output_dim=args["output_dim"])
        model.set_mean_std(train_set.mean, train_set.std, args["device"])
    model.to(args["device"])

After Change

        args["num_epochs"] = 0
        model = model_zoo.chem.load_pretrained(args["exp"])
    else:
        model = load_model(args)
        if args["model"] in ["SCHNET", "MGCN"]:
            model.set_mean_std(train_set.mean, train_set.std, args["device"])
        loss_fn = nn.MSELoss(reduction="none")
        optimizer = torch.optim.Adam(model.parameters(), lr=args["lr"], weight_decay=args["weight_decay"])

Instances