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mir-group / nequip

NequIP is a code for building E(3)-equivariant interatomic potentials
https://www.nature.com/articles/s41467-022-29939-5
MIT License
564 stars 124 forks source link

Better example.yaml defaults #319

Closed simonbatzner closed 1 year ago

simonbatzner commented 1 year ago

Better example.yaml