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Ramprasad-Group / polygnn

polyGNN is a Python library to automate ML model training for polymer informatics.
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Model seemingly not converging #4

Closed jnistane3 closed 1 year ago

jnistane3 commented 1 year ago

image Hi, was wondering how I can get the model to converge, the high RMSE and low R2 seem to be almost unchanging. Any leads?

rishigurnani commented 1 year ago

@jnistane3 Indeed you are right, the model is not converging. This should have been fixed as of v1.0.0 (see commit 368bc17825ebc2890b5587383cbe7ddbb79fedd2). Perhaps you do not have the latest version. Try poetry update polygnn and let me know if that fixes the issue.

jnistane3 commented 1 year ago

Great diagnostics Rishi, updating it to v1.0.0 seems to be working well. Thanks a lot!