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Tutorials and documentation for the GROMACS GPU Fast Multipole Method and constant pH implementation

See also:

https://gitlab.mpcdf.mpg.de/grubmueller/fmm

Kinetic Modeling of Stripes, Surfaces, and Solids (kmos3): Lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.

Source code of GlycoSHIELD | GlycoSHIELD WebApp https://dioscuri-biophysics.pages.mpcdf.de/glycoshield-md/

R code for generating an interactive viewer for a journal citation network based on the number of citations between journals per year, together with a UI to filter the displayed nodes and edges. The nodes are clustered using the Louvain method. The resulting journal clusters can optionally be given a Human-readable label via the OpenAI API. See https://cboul.pages.mpcdf.de/journal-network-viewer/

Some basic quasioptics scripts and functions