Popular repositories Loading
-
characterizing_uncertainty_scripts
characterizing_uncertainty_scripts PublicScripts associated with the paper "Characterizing Uncertainty in Machine Learning for Chemistry". They show how the data for this paper were calculated.
-
QM_descriptors_calculation
QM_descriptors_calculation PublicForked from yanfeiguan/QM_descriptors_calculation
-
chemprop
chemprop PublicForked from chemprop/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Python 1
-
ensemble_projection
ensemble_projection PublicCalculate the expected error for a dataset using different model ensemble sizes
Something went wrong, please refresh the page to try again.
If the problem persists, check the GitHub status page or contact support.
If the problem persists, check the GitHub status page or contact support.