activity
20172023
most citedOn-the-fly Data Assessment for High Throughput X-ray Diffraction Measurement

23 citations · 30 across the 5 of their papers we have counts for

collaborators
Showing physics.chem-phShow all

1 paper · 1 filter

physics.chem-ph2019★ 2 cited

A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography

Shuai Liu, Jie Li, Kochise C. Bennett +6

We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data repr…