Pinned Repositories
atomate2
atomate2 is a library of computational materials science workflows
cat-scaling
Build Catalysts Adsorption Energy Scaling Relations
chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
cnn4dos
MPhil Project at QUT: Convolutional Neural Networks and Volcano Plots: Screening and Prediction of Two-Dimensional Single-Atom Catalysts
DanielYang59
GitHub Profile Repo
DFT_Utility_Scripts
Collection of Handy Scripts for Density Functional Theory (DFT) Calculations (mostly for VASP).
LobsterPy
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
p4vasp
p4vasp, the VASP Visualization Tool
pymatviz
A toolkit for visualizations in materials informatics.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
DanielYang59's Repositories
DanielYang59/DFT_Utility_Scripts
Collection of Handy Scripts for Density Functional Theory (DFT) Calculations (mostly for VASP).
DanielYang59/cnn4dos
MPhil Project at QUT: Convolutional Neural Networks and Volcano Plots: Screening and Prediction of Two-Dimensional Single-Atom Catalysts
DanielYang59/p4vasp
p4vasp, the VASP Visualization Tool
DanielYang59/LobsterPy
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
DanielYang59/atomate2
atomate2 is a library of computational materials science workflows
DanielYang59/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
DanielYang59/DanielYang59
GitHub Profile Repo
DanielYang59/matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
DanielYang59/monty
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
DanielYang59/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
DanielYang59/pymatviz
A toolkit for visualizations in materials informatics.
DanielYang59/tensorflow
An Open Source Machine Learning Framework for Everyone
DanielYang59/nomad
NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
DanielYang59/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.