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1. tools-barebone tools-barebone Public

   Forked from materialscloud-org/tools-barebone

   A framework to develop apps that can be contributed in the Work/Tools section of the Materials Cloud

   Python

2. tools_nmr_pred tools_nmr_pred Public

   Prediction of NMR spectra/ properties from molecular structure. Project for the "AI for chemistry" course of EPFL.

   Jupyter Notebook

3. huckelTri huckelTri Public

   Build and diagonalize the Huckel Hamiltonian of some molecular systems with pi delocalized electrons.

   Fortran