MoleKing_util is a Python module written in C++ with pybind11. This module contains several useful classes for those who program python scripts aimed at theoretical chemistry.
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Updated
Mar 31, 2022 - C++
MoleKing_util is a Python module written in C++ with pybind11. This module contains several useful classes for those who program python scripts aimed at theoretical chemistry.
The Gnome Chemistry Utils provide some programs and library containing GTK widgets and some C++ classes related to chemistry. This is a migrated clone of the project's subversion repository. Upstream is not active anymore, but the program is still widely used. So please feel free to grab these sources and continue the project.
FRET-screening of conformations and experiment planning
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Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
Monte Carlo and Molecular Dynamics Simulation Package
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