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Prepare execution-ready VASP input sets.
VASP input guidance for robust DFT workflows
Safely dispatch and collect VASP job batches.
Prepare and run NEB transition-state pathways
Materials workflows with structure and MP data
Unlock materials science insights.
MACE-based rapid screening before DFT
Master materials science with Python.
ASE expertise for fast atomistic workflows.
Materials science toolkit for crystal structures.
Materials science toolkit.
Materials science toolkit for structure analysis.