Official public repository for the XtalOpt crystallographic multi-objective evolutionary algorithm
Original implementation of CSPML
Application of MAP-Elites algorithm for crystal structure prediction
Fortran code for generating and predicting interfaces between two crystals.
A Python and Machine Learning methods implementation for Crystal Structure Prediction and Diffraction Study
Crystal structure prediction via similarity in the Mendeleev's Periodic Number representation
MSc research project on application of Quality-Diversity algorithms for crystal structure prediction
Crystal Structure Design Software Based on Molecular/Ionic Configuration
EVCCPMRE is a python based wrapper program to perform replica exchange MC for Crystal Structure Prediction using a modified version of the fortran program UPACK. EVCCP stands for "Extended Variables Coupled to Crystal Polymorphs".
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