Martinez Group
Code for the Martinez Group at Stanford University
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- https://mtzweb.stanford.edu
- @mtzlab
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- PYSEQM Public Forked from lanl/PYSEQM
an interface to semi-empirical quantum chemistry methods implemented with pytorch
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- qchem_to_terachem_helper Public
- eri-regent Public
- aimsprop Public
A repository for the representation and manipulation of AIMS-type trajectories, particularly for use in computing time-dependent properties (bond lengths, angles, torsions, X-ray scattering, UED, photoelectron, UV-Vis, etc) in a semi-uniform manner.