JOSS Papers: enhanced sampling

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3284
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591
published Published 3 months ago

asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems

Python
@hejung
10.21105/joss.08321
published Published 5 months ago

NanoVer Server: A Python Package for Serving Real-Time Multi-User Interactive Molecular Dynamics in Virtual Reality

C# Python Jupyter Notebook
@hjstroud
10.21105/joss.08118
published Published over 2 years ago

flowMC: Normalizing flow enhanced sampling package for probabilistic inference in JAX

Python
@kazewong
10.21105/joss.05021
Displaying 3 papers

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ISSN 2475-9066