https://pypi.org/project/pydftb-torch/ Recent updates to the Python Package Index for pydftb-torch en https://pypi.org/project/pydftb-torch/0.1.0/ Scoped LibTorch DFTB1/2/3 and molecular mDFTB2/3 implementation. Sat, 23 May 2026 13:21:44 GMT