PyChem-Pro

Pure-Python desktop molecular viewer, editor and cheminformatics workbench

Desktopfree

PyChem-Pro is a desktop chemistry application and Python library that combines molecular visualization with cheminformatics, written entirely in Python and NumPy without external chemistry dependencies. It handles SMILES parsing, common structure file formats, MMFF94 geometry optimization, descriptor and fingerprint calculation, 2D and 3D rendering, QSAR data splitting and docking pose viewing. It is intended for teaching, research and plugin-based extension.

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