Chao XU comments

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                                            Chao XU

a error will occur in .smi-> .xyz->.smi

@nbehrnd @fredrikw Thanks for your reply. * I have update the version of openbabel 3.1.1, but the result is not fit. In the document 3.0.0, I find the openbabel provide...

how to skip Warning: Stereochemistry is wrong, using the distance geometry method instead

Thank you for you reply. I hope if when it generates incorrect stereochemistry, just skip it and don`t continue use the distance geometry method instead. Because when i test in...

how to skip Warning: Stereochemistry is wrong, using the distance geometry method instead

@robertwerner67 Thank you for your reply. Firstly, my datasets of smiles from the ZINC. Before I take the smiles into gen3D, canonical SMILES also the first step in my code....

Traffic light position is assumed to be static, but can be re-defined manually at runtime.

thank you very much

IndexError: boolean index did not match indexed array along dimension 0; dimension is 0 but corresponding boolean dimension is 1

i have solve this problem， load_mask() has a problem, below code should change , it should own labels, hope can help you. for i in range(len(labels)): if labels[i].find("one") != -1:...