THGLab
Teresa Head-Gordon's Research Group
- 47 followers
- 8000 University of California, Berkeley
- https://thglab.berkeley.edu/home/
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Showing 10 of 27 repositories
- NewtonNet Public
A Newtonian message passing network for deep learning of interatomic potentials and forces
THGLab/NewtonNet’s past year of commit activity - X-EISDv2 Public
Generalized, modular, and faster version of X-EISD: Extended Experimental Inferential Structure Determination
THGLab/X-EISDv2’s past year of commit activity - CSpred Public
UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.
THGLab/CSpred’s past year of commit activity - CMM_Data Public
Electronic structure data used in parameterizing the Completely Multipolar Model of molecular interactions
THGLab/CMM_Data’s past year of commit activity - H2Combustion_BO-POL Public
Wiberg/Mayer Bond Indices and Polarizabilities for the Hydrogen Combustion Dataset IRC's
THGLab/H2Combustion_BO-POL’s past year of commit activity - MLHessian-TSopt Public
THGLab/MLHessian-TSopt’s past year of commit activity
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