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Add MolBuilder - pure-Python molecular engineering and process chemistry toolkit#73

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Taylor-C-Powell:add-molbuilder
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Add MolBuilder - pure-Python molecular engineering and process chemistry toolkit#73
Taylor-C-Powell wants to merge 1 commit intolmmentel:masterfrom
Taylor-C-Powell:add-molbuilder

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Adding MolBuilder, an Apache 2.0-licensed Python package for molecular engineering and process chemistry. Key features:

  • Pure Python (numpy/scipy/matplotlib only) -- no RDKit or C++ required
  • SMILES parser/writer, 21 functional group detectors
  • Retrosynthetic planner with 91 reaction templates
  • Process engineering: reactor selection, condition optimization, GHS safety, costing, scale-up
  • 1,280+ tests, CI on Python 3.11/3.12/3.13

PyPI: https://pypi.org/project/molbuilder/

Updated the description of MolBuilder in the README.
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