A library for computational chemistry.
goChem is an open-source library for simplifying the common tasks of a computational chemist at a classical and quantum level. Although it is somewhat bio-oriented, it aims to be useful for chemistry in general.
goChem provides a nice set of features including geometric analysis, compatibility with several structre and trajectory formats, and interaction with several quantum-chemistry packages.
In addition, goChem provides a simple way for applications to be turned into PyMOL plugins. In this way, goChem applications can easily have a graphical user interface.
The library aims at ease of usage, simplicity and maintainability. Performance is not sacrified, and making proper use of multi-core machines is also a goal.
The developer dedicates his work to the long life of the Ven. Khenpo Phuntsok Tenzin Rinpoche.View the Project on GitHub
Note: The chemistry Gopher is a modification by Sebastian Franchini of the Go Gopher by Renee French.
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