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molecule-net

Molecule predictions from SPM images

Installation

git clone git@github.com:LauriKurki/molecule-net.git
cd molecule-net
pip install -e .

For mac systems, this can fail and you need to install py3nj and lie-learn manually.

  • py3nj -- run
CC=~/usr/bin/gcc-14 pip install py3nj
  • lie-learn -- install directly from source
python -m pip install git+https://github.com/AMLab-Amsterdam/lie_learn

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Molecule predictions from SPM images

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