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MLatom 3.22.0

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@dralgroup dralgroup released this 14 Jul 08:12
· 31 commits to main since this release
v3.22.0
a2b2e4f
  • OMNI-P2x — the first universal neural-network potential for excited states (tutorial, paper).
  • Improved performance of NAMD simulations (tutorial).

Install: pip install mlatom==3.22.0 · full release notes · documentation

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