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Stephen Quiton's Projects

custodian icon custodian

A simple, robust and flexible just-in-time job management framework in Python.

docsify icon docsify

🃏 A magical documentation site generator.

just-the-docs icon just-the-docs

A modern, high customizable, responsive Jekyll theme for documention with built-in search.

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pyscf icon pyscf

Python module for quantum chemistry

qcfw icon qcfw

Helper functions for carrying out QChem calculations on FireWorks

rdkit icon rdkit

The official sources for the RDKit library

sampl6 icon sampl6

Challenge inputs, details, and results for the SAMPL6 series of challenges

spgl1 icon spgl1

A solver for large-scale sparse least squares

vmc icon vmc

Algebraic Variety Models for High-Rank Matrix Completion MATLAB code

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