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This repository contains everything as a submodule and more to get UNICADO up and running on your machine.

Light-weight tight-binding framework

McCormick-based Algorithm for mixed-integer Nonlinear Global Optimization

CMake interface for Gurobi

Library for algebraic-logical expression trees

Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package

(Gaming)GPU-Accelerated Matrix-Based ITerative Solvers