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autodE Public
Forked from duartegroup/autodEautomated reaction profile generation
Python MIT License UpdatedJun 6, 2025 -
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CHEM2STRUC Public
Automates the generation of pre-optimized molecular structures and provides quick 2D and 3D visualization.
Python UpdatedSep 6, 2024 -
SASA_CALC Public
Python script calculates and visualizes the solvent-accessible surface area (SASA) of molecules.
Python UpdatedJul 1, 2024