spdkit's repositories
ML-Assisted_Surface_Structure_Prediction
SI for article "Machine Learning Predicts Atomistic Structures of Multi-Element Solid Surfaces: Implications for Heterogeneous Catalysts in Variable Chemical Environments"
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reaction-explore
Reaction Explorer
reaction-view
Reaction Viewer
spdkit-surface
Structure predition tools for surface slab model
Language:RustGPL-3.0000