wwang2/Coarse-Graining-Auto-encoders

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wwang2/Coarse-Graining-Auto-encoders

wwang2

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CoarseGrainingVAE

Geometric super-resolution for molecular geometries

ML4MolEng

Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2021).

Jupyter Notebook

GaussianBeamVI

A handy tool to visualize Gaussian beam propagation through lenses

GenerativeCG

Code for paper Generative Coarse-Graining of Molecular Conformations

thermo-notes

my notes on stat mech and thermodynamics

mlcov

Everyone was simulating epidemic spread back then, I was too

Jupyter Notebook

ca2all

simple script which uses modeller to rebuild ca only protein models to all atom structures