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0.0.6

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@muammar muammar released this 30 Jan 03:35
· 58 commits to master since this release
  • data.parser:
    • Support ANI datasets.
    • Renamed FakeCalculator to SinglePointCalculator.
  • features.gaussian: Refactored Gaussian class.
  • Support of Coulomb Matrix with DScribe. This serves as an example to implement all descriptors available in that library.
  • models.kernelridge partially improved efficiency of KernelRidge class.