akensert / molgraph

Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
https://molgraph.readthedocs.io/en/latest/
MIT License
48 stars 5 forks source link

OCHEM integration #16

Closed thegodone closed 10 months ago

thegodone commented 1 year ago

I am please to send you the first models we have done with molgraph toolkit in OCHEM. RMSE: MolGraphs: 0.58 SmilesX: 0.6

akensert commented 1 year ago

Great:)

github-actions[bot] commented 11 months ago

This issue is stale because it has been open for 30 days with no activity.

github-actions[bot] commented 10 months ago

This issue was closed because it has been inactive for 14 days since being marked as stale.