Error when run the main.py

[lh12565]

Hi, I install the DeepPROTACs via 'conda env create -f env.yaml', but there is an error when I run python main.py:

RuntimeError: 
Tried to access nonexistent attribute or method 'crow_indices' of type 'Tensor'.:
  File "/NAS/lh/software/miniconda3/envs/DeepPROTACs/lib/python3.7/site-packages/torch_sparse/tensor.py", line 109
    def from_torch_sparse_csr_tensor(self, mat: torch.Tensor,
                                     has_value: bool = True):
        rowptr = mat.crow_indices()
                 ~~~~~~~~~~~~~~~~ <--- HERE
        col = mat.col_indices()

I downgraded torch-sparse from 0.6.14 to 0.6.12 as here said, but there is another error as below:

ImportError: dlopen: cannot load any more object with static TLS
___________________________________________________________________________
Contents of /NAS/lh/software/miniconda3/envs/DeepPROTACs/lib/python3.7/site-packages/sklearn/__check_build:
__pycache__               __init__.py               _check_build.cpython-37m-x86_64-linux-gnu.so
setup.py
___________________________________________________________________________
It seems that scikit-learn has not been built correctly.

If you have installed scikit-learn from source, please do not forget
to build the package before using it: run `python setup.py install` or
`make` in the source directory.

If you have used an installer, please check that it is suited for your
Python version, your operating system and your platform.

My system is centos7. I don't know how to solve it? Thanks!

[Fenglei104]

hello, there! It seems that your scikit-learn has some problem. Maybe you can re-install it?

[miderxi]

Traceback (most recent call last): File "/home/v/proj/DeepPROTACs/main.py", line 85, in main() File "/home/v/proj/DeepPROTACs/main.py", line 70, in main model = train( File "/home/v/proj/DeepPROTACs/train_andtest.py", line 38, in train = valids(model, valid_loader, device) File "/home/v/proj/DeepPROTACs/train_and_test.py", line 32, in valids return sum(loss)/iteration, accuracy_score(y_true, y_pred), roc_auc_score(y_true, y_score) File "/home/v/micromamba/envs/test2/lib/python3.10/site-packages/sklearn/utils/_param_validation.py", line 213, in wrapper return func(*args, **kwargs) File "/home/v/micromamba/envs/test2/lib/python3.10/site-packages/sklearn/metrics/_ranking.py", line 640, in roc_auc_score return _average_binary_score( File "/home/v/micromamba/envs/test2/lib/python3.10/site-packages/sklearn/metrics/_base.py", line 75, in _average_binary_score return binary_metric(y_true, y_score, sample_weight=sample_weight) File "/home/v/micromamba/envs/test2/lib/python3.10/site-packages/sklearn/metrics/_ranking.py", line 382, in _binary_roc_auc_score raise ValueError( ValueError: Only one class present in y_true. ROC AUC score is not defined in that case.