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HySonLab / Multires-Graph-Transformer

Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Long-Range and Hierarchical Structures
https://doi.org/10.1063/5.0152833
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Some minor fixes to make the scripts run #2

Closed chgaul closed 1 year ago

chgaul commented 1 year ago

As mentioned in #1, a few changes were necessary to actually run the scripts train_peptides_func.sh, train_peptides_struct.sh, and train_polymer.sh. These are collected in this pull request.

nnkhang19 commented 1 year ago

Thank you for your great effort to fix bugs in our code! We appreciate it a lot. I will merge your pull request to the main repository.