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David 창모 Yang's Projects

imolecule icon imolecule

An embeddable webGL molecule viewer and file format converter.

ipie icon ipie

ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

pacmof icon pacmof

PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.

pyscf icon pyscf

Python module for quantum chemistry

qmcpack icon qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

raspa2 icon raspa2

Classical molecular simulation code

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