Opening this as more of a note to future readers. The current Anaconda environment setup instructions fail to solve for me and after much experimentation I was able to get a working environment like so:
For whatever reason, this would only resolve for me if I specify all of the PyTorch dependencies when first creating the environment like that. I found that RDKit had to be installed from pip (conda complains about conflicts).
Newer versions of PyTorch will not work and will encounter quite an opaque error to do with index data types. Additionally, the project is using legacy data structures from the older versions of torchtext.
Also note that some of these are undocumented dependencies, but you'll find you need them when trying to train and test.
Opening this as more of a note to future readers. The current Anaconda environment setup instructions fail to solve for me and after much experimentation I was able to get a working environment like so:
For whatever reason, this would only resolve for me if I specify all of the PyTorch dependencies when first creating the environment like that. I found that RDKit had to be installed from pip (conda complains about conflicts).
Newer versions of PyTorch will not work and will encounter quite an opaque error to do with index data types. Additionally, the project is using legacy data structures from the older versions of torchtext.
Also note that some of these are undocumented dependencies, but you'll find you need them when trying to train and test.