xtb-python is no longer actively developed

xiaoruiDong / RDMC

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.

https://xiaoruidong.github.io/RDMC/

MIT License

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Open xiaoruiDong opened 3 months ago

xiaoruiDong commented 3 months ago

The authors suggest switching to tblite instead.

tblite is distributed with conda-forge's xtb. It has a python interface, tblite-python which is the replacement of xtb-python