joshgabriel Goto Github PK
Type: User
joshgabriel's Projects
amp
Personal modifications to AMP code from the Peterson group
dft-crossfilter
DFT crossfilter web application with bokeh visualization.
emcee
The Python ensemble sampling toolkit for affine-invariant MCMC
espei
Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
fitsnap
Software for generating SNAP machine-learning interatomic potentials
mpinterfaces
Python package that enables high throughput analysis of interfaces(ligands/solvent/hetero-structures) using VASP, VASPsol and materialsproject tools
unarybayes
A Bayesian framework for the selection, calibration and uncertainty quantification of thermodynamic property models
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