Parsers and algorithms for computational chemistry logfiles
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Updated
Jul 30, 2026 - Python
Parsers and algorithms for computational chemistry logfiles
Periodic table, physical constants, and molecule parsing for quantum chemistry.
Python module for quantum chemistry
Quantum chemistry program executor and IO standardizer (QCSchema).
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Semiempirical Extended Tight-Binding Program Package
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