Geometry-aware Transformer for molecular property prediction.

Bumju Kwak Jeonghee Jo Byunghan Lee Sungroh Yoon

Published in: CoRR (2021)

Keyphrases

prediction accuracy
three dimensional
fuzzy logic
prediction model
prediction error
prediction algorithm
fault diagnosis
drug design
data mining
learning algorithm
case study
expert systems
short term
desirable properties
hiv protease