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catchemi (link): A tool to compute energies from the Newns-Anderson model along with different orthogonalization schemes. See this paper for more details on the implementation and this paper for an application to single-atom alloys.
coeffnet (link): Predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network. See this paper for details on implementation.
catmap (link): Implementation of the numbers-solver for solving a steady-state micro-kinetic model. See this paper for details about the implementation.
tpd-analyse (link): Implementation of a tool to analyse TPD spectra. See this paper for details about the implementation.