software . 2021

pnnl/solubility-prediction-paper

Central, PNNL Developer; Saldanha, Emily; Panapitiya, Gihan;
Open Source
  • Published: 01 Jul 2021
  • Publisher: DOE CODE
Abstract
We are using existing deep learning modeling architectures and data representation techniques, but we are consolidating the methods into a single set of training and evaluation scripts. Additionally, we test and evaluate the performance of the models on the largest set of solubility measurements available to date.
Any information missing or wrong?Report an Issue