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Qunchao Tong's Projects

calypso-gap icon calypso-gap

CALYPSO-GAP the machine learning potentials based Gaussian process regression for multi-species system under high pressure

f90wrap icon f90wrap

F90 to Python interface generator with derived type support

materials_analysis icon materials_analysis

materials_analysis is a python package for materials analysis. The materials information is extracted from Materials Project.

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.

roost icon roost

Representation Learning from Stoichiometry

strucgan icon strucgan

The python package for generation structure of cluster and molecular using wasserstein generative adversarial network (wGAN)

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