13 projects
PyexQE
extension QE: toolkit package of Quantum ESPRESSO.
ShapEV
A package for identifying Equivalent Value based on joint SHAP values
Pysimxrd
toolkit for SimXRD database
MultiBgolearn
Python package designed for multi-objective Bayesian global optimization (MOBO)
VSGenerator
Dynamic Virtual Space generation neural Network.
Crylearn
toolkit for embedding crystal to graphy
CryDBkit
ToolKit for building your own Crystal Database
BgoKit
A tool package for Bgolearn
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
Bgolearn
A Bayesian global optimization package for material design
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
