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  • License: MIT License Copyright (c) 2023 Rokas Elijošius Permission is hereby granted, free of charge, to an...
  • Author: Rokas Elijošius
  • Requires: Python >=3.10

Project description

Minimal implementation of a MACE model for hydrogenating molecules.

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  • License: MIT License Copyright (c) 2023 Rokas Elijošius Permission is hereby granted, free of charge, to an...
  • Author: Rokas Elijošius
  • Requires: Python >=3.10

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