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Search results for bindings quantum chemistry
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quantum-chemistry
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1 search results found
Xtb
⭐
501
Semiempirical Extended Tight-Binding Program Package
Xtb Python
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81
Python API for the extended tight binding program package
Ntpoly
⭐
18
A massively parallel library for computing the functions of sparse matrices.
Tbfit
⭐
15
Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
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