Pinned Repositories
atb2lammps
Convert files from the ATB repository to LAMMPS format
ccgnet
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
clandpol
Polarisable force field for ionic liquids
Collection_of_Frequency_Scale_Factors
A collection of frequency scale factors from various sources.
cp2k-input-tools
Fully validating pure-python CP2K input file tools including preprocessing capabilities
Deep-Learning-from-Scratch
Deep Learning from Scratch book notes
dlwpt-code
Code for the book Deep Learning with PyTorch by Eli Stevens, Luca Antiga, and Thomas Viehmann.
MaterialsStudio_PerlScript
XGraphBoost
zbfjk's Repositories
zbfjk/cgcnn
Crystal graph convolutional neural networks for predicting material properties.