20 projects
BgoKit
A lightweight multi-objective tool package for Bgolearn
MultiBgolearn
Python package designed for multi-objective Bayesian global optimization (MOBO)
Bgolearn
A Bayesian global optimization package for material design
PyXplore
A powder X-ray diffraction analysis and materials-characterization toolkit
Pysimxrd
Physical simulation of powder X-ray diffraction patterns
XRetriever
X-ray Diffraction Pattern Matching and Crystal Structure Retrieval
TUKAkit
Toolkit for evaluating crystal structures with the TUKA criteria
CryDBkit
ToolKit for building your own Crystal Database
VSGenerator
Dynamic Virtual Space generation neural Network.
ASUkit
toolkit for AUSGNNGNN
crystalflow
XRD Enhanced Crystal Graph Dataloader
NoteBin
A tool package for writing notes
PyArpes
Data Post-Processing Package for ARPES Data
PyexQE
extension QE: toolkit package of Quantum ESPRESSO.
ShapEV
A package for identifying Equivalent Value based on joint SHAP values
Crylearn
toolkit for embedding crystal to graphy
PyTcgpr
Tree-Classifier for gaussian process model (TCGPR) is a data preprocessing algorithm based on the Gaussian correlation among data.
WPEMPhase
Crystallographic Phase Identifier of Convolutional self-Attention Neural Network
TCLR
Tree-Classifier for Linear Regression (TCLR) is a novel tree model to capture the functional relationships between features and a target based on correlation.
KMMTR
a transfer learning regression model based on Kernel Mean Matching (KMM) algorithm
