Pinned Repositories
-ChBE_6745
Project
Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
data_analytics_ChE
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
HPC_assignment
lammps2cif_batch
lammps_interface
A barebones interface for lammps
MatDeepLearn
MatDeepLearn, package for graph neural networks in materials chemistry
mof_defect_builder
TAXI_MOF
Flexible MOF model
zyu331.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
zyu331's Repositories
zyu331/mof_defect_builder
zyu331/-ChBE_6745
Project
zyu331/Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
zyu331/data_analytics_ChE
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
zyu331/HPC_assignment
zyu331/lammps2cif_batch
zyu331/lammps_interface
A barebones interface for lammps
zyu331/MatDeepLearn
MatDeepLearn, package for graph neural networks in materials chemistry
zyu331/TAXI_MOF
Flexible MOF model
zyu331/zyu331.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
zyu331/ML_flex_defect
Corresponding ML source code and data for the Chapter5 of Zhenzi's thesis
zyu331/mof_defect_builder_beta
MOF defect structure generator: beta version
zyu331/MOF_Ellipsoid_Flexibility
zyu331/MOF_Flexibility_tools
zyu331/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.
zyu331/RASPA2
A mirror of David Dubbeldam's general purpose classical simulation package.
zyu331/traffic_accident_prediction
This is part of a group project for Georgia Tech's CSE 6242: Data and Visual Analytics.