Install psmiles with pip

pip install git+https://github.com/kuennethgroup/psmiles.git

If you need polyBERT and mordred fingerprints use:

pip install 'psmiles[polyBERT,mordred]@git+https://github.com/kuennethgroup/psmiles.git'

Install psmiles with poetry

poetry add git+https://github.com/kuennethgroup/psmiles.git

With polyBERT and mordred fingerprints

poetry add git+https://github.com/kuennethgroup/psmiles.git -E polyBERT -E mordred