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Utilizing large, graph-based, pre-trained machine learned potentials in atomistic simulations
Introduction to OCP
Introduction to using OCP in molecular simulations
Screening catalysts with OCP
Using OCP to enumerate adsorbates on alloy catalyst surfaces
Fine-tuning a model
Fine tuning a model
Gotchas
Common gotchas with OCP
Advanced topics
Mass inference
Working with embeddings
Repository
Open issue
Index