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ML-powered automated generation of chemical reaction networks in heterogeneous catalysis
ASE
Atomic Simulation Environment
516 stars 980 forks GNU General Public License v2.0 or later
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The Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations. It is an international, open-source project where everybody is encouraged to participate and contribute. The code is freely available under the GNU LGPL license.
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