Published April 5, 2020
| Version V1.0
Software
Open
THGLab/3D-DenseNet-ChemShift: 3D-DenseNet-ChemShift
Authors/Creators
Description
MR-3D-DenseNet. S. Liu, J. Li, K. C. Bennett, B. Ganoe, T. Stauch, M. Head-Gordon, A. Hexemer, D. Ushizima, and T. Head-Gordon (2019) Multiresolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography. J. Phys. Chem. Lett. 10, 4558−4565. DOI: 10.1021/acs.jpclett.9b01570.
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THGLab/3D-DenseNet-ChemShift-V1.0.zip
Files
(114.2 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/THGLab/3D-DenseNet-ChemShift/tree/V1.0 (URL)