issue with evaluate.py

[SoodabehGhaffari]

Hello, I am running imagemol for my dataset to predict the properties of molecules. I used the pretrained model on the github and ran finetune.py on my dataset. Now, I run into an error when I run evaluate.py. Please see the error below. Could you please help me with this issue? Should I trained the pretrained model?

Thank you

/scratch/gpfs/sg6615/CONDA/envs/imagemol/lib/python3.7/site-packages/torchvision/models/_utils.py:209: UserWarning: The parameter 'pretrained' is deprecated since 0.13 and may be removed in the future, please use 'weights' instead. f"The parameter '{pretrained_param}' is deprecated since 0.13 and may be removed in the future, " /scratch/gpfs/sg6615/CONDA/envs/imagemol/lib/python3.7/site-packages/torchvision/models/_utils.py:223: UserWarning: Arguments other than a weight enum or None for 'weights' are deprecated since 0.13 and may be removed in the future. The current behavior is equivalent to passing weights=None. warnings.warn(msg) Architecture: ResNet18 eval_metric: rmse smiles Cc1ccc(C(C)(C)C(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1 smiles Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccc(OCc2ccccc2F)cc1 => loading checkpoint '/scratch/gpfs/sg6615/ImageMol/logs/random/random_valid_best.pth' Traceback (most recent call last): File "evaluate.py", line 120, in main(args) File "evaluate.py", line 92, in main model.load_state_dict(checkpoint) File "/scratch/gpfs/sg6615/CONDA/envs/imagemol/lib/python3.7/site-packages/torch/nn/modules/module.py", line 1672, in load_state_dict self.class.name, "\n\t".join(error_msgs))) RuntimeError: Error(s) in loading state_dict for ResNet: Missing key(s) in state_dict: "conv1.weight", "bn1.weight", "bn1.bias", "bn1.running_mean", "bn1.running_var", "layer1.0.conv1.weight", "layer1.0.bn1.weight", "layer1.0.bn1.bias", "layer1.0.bn1.running_mean", "layer1.0.bn1.running_var", "layer1.0.conv2.weight", "layer1.0.bn2.weight", "layer1.0.bn2.bias", "layer1.0.bn2.running_mean", "layer1.0.bn2.running_var", "layer1.1.conv1.weight", "layer1.1.bn1.weight", "layer1.1.bn1.bias", "layer1.1.bn1.running_mean", "layer1.1.bn1.running_var", "layer1.1.conv2.weight", "layer1.1.bn2.weight", "layer1.1.bn2.bias", "layer1.1.bn2.running_mean", "layer1.1.bn2.running_var", "layer2.0.conv1.weight", "layer2.0.bn1.weight", "layer2.0.bn1.bias", "layer2.0.bn1.running_mean", "layer2.0.bn1.running_var", "layer2.0.conv2.weight", "layer2.0.bn2.weight", "layer2.0.bn2.bias", "layer2.0.bn2.running_mean", "layer2.0.bn2.running_var", "layer2.0.downsample.0.weight", "layer2.0.downsample.1.weight", "layer2.0.downsample.1.bias", "layer2.0.downsample.1.running_mean", "layer2.0.downsample.1.running_var", "layer2.1.conv1.weight", "layer2.1.bn1.weight", "layer2.1.bn1.bias", "layer2.1.bn1.running_mean", "layer2.1.bn1.running_var", "layer2.1.conv2.weight", "layer2.1.bn2.weight", "layer2.1.bn2.bias", "layer2.1.bn2.running_mean", "layer2.1.bn2.running_var", "layer3.0.conv1.weight", "layer3.0.bn1.weight", "layer3.0.bn1.bias", "layer3.0.bn1.running_mean", "layer3.0.bn1.running_var", "layer3.0.conv2.weight", "layer3.0.bn2.weight", "layer3.0.bn2.bias", "layer3.0.bn2.running_mean", "layer3.0.bn2.running_var", "layer3.0.downsample.0.weight", "layer3.0.downsample.1.weight", "layer3.0.downsample.1.bias", "layer3.0.downsample.1.running_mean", "layer3.0.downsample.1.running_var", "layer3.1.conv1.weight", "layer3.1.bn1.weight", "layer3.1.bn1.bias", "layer3.1.bn1.running_mean", "layer3.1.bn1.running_var", "layer3.1.conv2.weight", "layer3.1.bn2.weight", "layer3.1.bn2.bias", "layer3.1.bn2.running_mean", "layer3.1.bn2.running_var", "layer4.0.conv1.weight", "layer4.0.bn1.weight", "layer4.0.bn1.bias", "layer4.0.bn1.running_mean", "layer4.0.bn1.running_var", "layer4.0.conv2.weight", "layer4.0.bn2.weight", "layer4.0.bn2.bias", "layer4.0.bn2.running_mean", "layer4.0.bn2.running_var", "layer4.0.downsample.0.weight", "layer4.0.downsample.1.weight", "layer4.0.downsample.1.bias", "layer4.0.downsample.1.running_mean", "layer4.0.downsample.1.running_var", "layer4.1.conv1.weight", "layer4.1.bn1.weight", "layer4.1.bn1.bias", "layer4.1.bn1.running_mean", "layer4.1.bn1.running_var", "layer4.1.conv2.weight", "layer4.1.bn2.weight", "layer4.1.bn2.bias", "layer4.1.bn2.running_mean", "layer4.1.bn2.running_var", "fc.weight", "fc.bias". Unexpected key(s) in state_dict: "epoch", "model_state_dict", "optimizer_state_dict", "lr_scheduler", "loss", "result_dict".

[HongxinXiang]

I fixed the bug, you can use the latest version of the code to complete the evaluation.