quantumflow-open
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xtb
xtb PublicForked from grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
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OpenMolcas
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The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multic…
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torchani
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xtb-python
xtb-python PublicForked from grimme-lab/xtb-python
Python API for the extended tight binding program package
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