Accelerated molecular crystal structure determination from powder diffraction data
pythoncrystalgpupytorchcrystallographycrystal-structurepowder-diffractionxrddiffractionstructure-determinationsdpdstructure-solutionpxrd
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Updated
Jun 20, 2025 - Python
Accelerated molecular crystal structure determination from powder diffraction data
An isothermal implementation of Smoothed Dissipative Particle Dynamics for LAMMPS
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