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I will take a look at the moffragmentor. Thanks a lot ________________________________ From: Kevin M Jablonka ***@***.***> Sent: Wednesday, July 19, 2023 5:05 AM To: kjappelbaum/mofdscribe ***@***.***> Cc: Tsung Wei...

Here are versions of torch relevant packages from my env ``` torch 1.8.0 torch-cluster 1.6.0 torch-geometric 2.2.0 torch-scatter 2.1.0 torch-sparse 0.6.12 torch-spline-conv 1.2.1 torchvision 0.9.0 ```

Thanks for your reply and patience. Unfortunately, after I tried several different methods, my system could not accommodate the geometric 1.7.0. Looking forward to the new version update. Best~