spdkit's repositories
ML-Assisted_Surface_Structure_Prediction
SI for article "Machine learning predicts atomistic structures of multielement solid surfaces for heterogeneous catalysts in variable environments"
reaction-explore
Reaction Explorer
reaction-view
Reaction Viewer
SI_zeolite_article
Supplemental Information for article "Unveiling the Structure‒Surface Energy Relationship of Zeolites through Machine Learning".
spdkit-surface
Structure predition tools for surface slab model
symmetrizer
molecule symmetrizer