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Alec Wills's Projects

dpyscfl icon dpyscfl

Repository for maintaining dpyscfl, copied from the fork for more control over repo settings

neuralxc icon neuralxc

Implementation of a machine learned density functional

pynucastro icon pynucastro

python interfaces to the nuclear reaction rate databases

sbu-ccmp-tools icon sbu-ccmp-tools

Libary of utilites to analyze the ouput of electronic structure programs

sebshare icon sebshare

For the sharing of files related to the project

xcquinox icon xcquinox

A machine learning package using the equinox library for learning XC functionals with JAX.

xcquinox-cider icon xcquinox-cider

Tools for training and evaluating CIDER functionals for use in Density Functional Theory calculations, modified from the original repo version to better work with xcquinox

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