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Operators behave like matrices (with some exceptions - see below) but are defined by their effect when applied to a vector. They can be transposed, conjugated, or combined with other operators cheaply. The costly operation is deferred until multiplied with a vector.

Much of science can be explained by the movement and interaction of molecules. Molecular dynamics (MD) is a computational technique used to explore these phenomena, from noble gases to biological macromolecules. Molly.jl is a pure Julia package for MD, and for the simulation of physical systems more broadly. The package is described in a talk at Enzyme Conference 2023 and an earlier talk at the JuliaMolSim minisymposium at JuliaCon 2022. Slides are also available for a tutorial in September...

SciMLTutorials.jl holds PDFs, webpages, and interactive Jupyter notebooks showing how to utilize the software in the SciML Scientific Machine Learning ecosystem. This set of tutorials was made to complement the documentation and the devdocs by providing practical examples of the concepts. For more details, please consult the docs. To view the SciML Tutorials, go to tutorials.sciml.ai. By default, this will lead to the latest tagged version of the tutorials