calvin-zcx
commented
4 years ago - please check the version of python, rdkit as indicated in the Readme
- it possibly still works with these warning messages
Open CUMTzackGit opened 4 years ago
calvin-zcx
commented
4 years ago
Thank you for sharing the source code and giving sufficient instructions. However, I found an error when running the code. Can you help me?
/home/User/miniconda3/envs/moflow/lib/python3.6/importlib/_bootstrap.py:219: RuntimeWarning: to-Python converter for boost::shared_ptr already registered; second conversion method ignored.
return f(*args, **kwds)
/home/User User/miniconda3/envs/moflow/lib/python3.6/site-packages/matplotlib/backends/qt_editor/figureoptions.py:11: MatplotlibDeprecationWarning:
The support for Qt4 was deprecated in Matplotlib 3.3 and will be removed two minor releases later.
from matplotlib.backends.qt_compat import QtGui
../mflow/models/basic.py:155: UserWarning: The given NumPy array is not writeable, and PyTorch does not support non-writeable tensors. This means you can write to the underlying (supposedly non-writeable) NumPy array using the tensor. You may want to copy the array to protect its data or make it writeable before converting it to a tensor. This type of warning will be suppressed for the rest of this program. (Triggered internally at /opt/conda/conda-bld/pytorch_1595629427286/work/torch/csrc/utils/tensor_numpy.cpp:141.)
w_s = torch.from_numpy(w_s)