Added NB for ai4chem guest lecture: How Computational Methods and Data Shape AI for Discovery#16
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efako wants to merge 3 commits intoschwallergroup:mainfrom
Open
Added NB for ai4chem guest lecture: How Computational Methods and Data Shape AI for Discovery#16efako wants to merge 3 commits intoschwallergroup:mainfrom
efako wants to merge 3 commits intoschwallergroup:mainfrom
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tutorial on:
ASE structures
AutoAdsorbate
MLIPs
ASE dynamics