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ReadySetGO ๐Ÿ“‰

Modular Global Optimisation Algorithms for Atomistic Simulation


Key Features ๐ŸŽฐ

  • Choose your own initialisation constraints, global optimisation algorithm, clustering algorithms, and analysis
  • Standardised exploration of PES, ideal for developing and benchmarking new GO algorithms.
  • Being based on ASE, readysetgo supports a wide range of DFT codes and force fields.

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Modular Global Optimisation Algorithms

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