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Chemfiles.jl ⭐ 32

Julia bindings to chemfiles

The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and transport modeling based on the non-equilibrium Green's function (NEGF) method. The code can deal with both finite and periodic system translated in one, two or three dimensions.

Ruby interface to the OpenBabel ruby bindings similar to pybel

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