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v0.3.0 (mlcolvar)

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@luigibonati luigibonati released this 02 May 13:24
· 540 commits to main since this release

First mlcolvar release

The library went through a complete refactoring (including being renamed from mlcvs to mlcolvar) with new structure and APIs.

Main changes

  • Pytorch lightning support
  • Modular CV structure
  • Dict-like datasets
  • Many new CVs methods

Pull requests

Only the recent changes are shown in this list:

New Contributors

Full Changelog: v0.2.2...v0.3.0