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Installation

  • Download sources
  • PyPI install
  • Local build
  • Build on Irene
  • Build on Marconi
  • MILADY potentials in Lammps
  • Former build (Makefile)

User manual

  • Input files
  • ML tasks
  • Regression models
  • Kernels
  • Atomic systems
  • Descriptors
  • Databases
  • Optimization of hyperparameters
  • Advanced options
  • MiLaDy Chatbot

Examples

  • Compute and write descriptors without further fit
  • LML fit in bcc Fe with AFS descriptor
  • QNML fit in HEA with BSO4 descriptor
  • Kernel regression using polynomial kernel
  • Kernel regression using a random kernel
  • LML fit in bcc Fe with AFS descriptor, dump/read
  • LML fit in bcc Fe with BSO4 descriptor, 2-body ZBL core
  • LML fit in HEA with kACE descriptor
  • QNML fit in HEA with ACE descriptor

Publications

  • Articles
  • Potentials

Tutorials

  • Roscoff
Milady
  • Search

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