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Add MolBuilder - pure-Python molecular engineering toolkit - #72

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Add MolBuilder - pure-Python molecular engineering toolkit#72
Taylor-C-Powell wants to merge 1 commit into
hsiaoyi0504:masterfrom
Taylor-C-Powell:add-molbuilder

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MolBuilder is an open-source (Apache 2.0) molecular engineering toolkit in pure Python. It's unique in covering the full pipeline from molecular structure through process engineering:

  • SMILES parser/writer with chirality and stereochemistry
  • 91 reaction templates with beam-search retrosynthesis
  • Substrate-aware reaction condition prediction
  • Reactor selection, GHS safety, cost estimation, scale-up
  • 1,280+ tests, Python 3.11+, pip-installable

PyPI: https://pypi.org/project/molbuilder/
GitHub: https://github.com/Taylor-C-Powell/Molecule_Builder

Added MolBuilder to the list of molecular engineering toolkits.
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