Supervised Pretraining for Molecular Force Fields and Properties Prediction.

Xiang Gao Weihao Gao Wenzhi Xiao Zhirui Wang Chong Wang Liang Xiang

Published in: CoRR (2022)

Keyphrases

prediction accuracy
prediction model
desirable properties
learning algorithm
drug design
data sets
information systems
database
decision trees
three dimensional
mobile robot
supervised learning
unsupervised learning
topological properties
prediction algorithm
physico chemical