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MLatom 3.14.0

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@dralgroup dralgroup released this 14 Jul 08:11
· 72 commits to main since this release
v3.14.0
f78fb29
  • UV/vis spectra from single-point convolution and the nuclear-ensemble approach via the Python API, with improved plotting (tutorial).
  • Updated MACE interface (supports MACE 0.3.8).
  • Minor bug fixes.

Install: pip install mlatom==3.14.0 · full release notes · documentation

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