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rinikerlab / Ensembler

Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method development or to deepen understanding of a broad spectrum of modeling methods, from basic sampling techniques to enhanced sampling and free energy calculations. It is easy to install, fast, increases shareability, comparability, and reproducibility of scientific code developments.

https://rinikerlab.github.io/Ensembler/index.html

MIT License

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Beautify JNBs with Markdown text #12

Closed RiesBen closed 3 years ago

RiesBen commented 4 years ago

[x] BasicPotentials
[x] BasicSimulations (@linkerst )
[x] EDS (@SchroederB)
[x] ConveyorBelt (@dfhahn )
[x] FreeEnergy (Gerhard?/ @SchroederB )
[x] EnhancedSampling (@linkerst )

linkerst commented 4 years ago

I will take over BasicSimulations and EnhancedSampling We still have to decide if BasicSimulations will include 2D examples.