https://pypi.org/project/axtb/ Recent updates to the Python Package Index for axtb en https://pypi.org/project/axtb/0.1.0/ Extended tight binding (GFN2-xTB, g-xTB) and the GFN-FF force field: energies, gradients, Hessians, vibrational analysis Sat, 07 Nov 2026 20:24:53 GMT