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The nicest python interface to SHOP

HyOpt model, written in Mosel modelling language

PyHyOpt is a python wrapper providing an unified interface to HyOpt functionality, from parsing of input files through solving to output vizualization (coming).

GTSAM is a library of C++ classes that implement smoothing and mapping (SAM) in robotics and vision, using factor graphs and Bayes networks as the underlying computing paradigm rather than sparse matrices.

gtsam.org https://github.com/borglab/gtsam

A collection of scripts to use Alloy Catalysis Toolkit with surfaces and adsorbates.