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MLatom 3.17.3

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@dralgroup dralgroup released this 14 Jul 08:12
· 55 commits to main since this release
v3.17.3
137b468
  • Fixed a severe bug with AIMNet2 models that prevented their use in geometry optimization and frequency calculations.
  • Fixed fine-tuning.

Install: pip install mlatom==3.17.3 · full release notes · documentation

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