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Ramprasad-Group / polygnn

polyGNN is a Python library to automate ML model training for polymer informatics.
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Direct access to fingerprints #24

Closed rishigurnani closed 2 months ago

rishigurnani commented 4 months ago

Modfiy the polyGNN class in https://github.com/Ramprasad-Group/polygnn/blob/main/polygnn/models.py so that the learned polymer fingerprints can be directly accessed.

rishigurnani commented 2 months ago

This was closed by 31224e6e156d555b02556873805a0747de91a56e.