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Guilherme Mendes's Projects

nevae-ufrj icon nevae-ufrj

Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019

randspg icon randspg

Random symmetric initialization of crystals

tuypoa icon tuypoa

Config files for my GitHub profile.

unitcell4qe icon unitcell4qe

best way to fit a molecular structure in unit cell for first run on Quantum Espresso

xtalopt icon xtalopt

Official public repository for the XtalOpt crystallographic evolutionary algorithm

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