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US-6.2.1: Python bindings for structures and properties (PyO3) #83

@Peariforme

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@Peariforme

User Story

As a Python chemist, I want to use polysim from Python.

Acceptance Criteria

  • pip install polysim
  • from polysim import PolymerChain, LinearBuilder, BuildStrategy
  • Pythonic API (snake_case, docstrings, type hints)
  • NumPy support for 3D coordinates
  • RDKit integration (SMILES <-> Mol conversion)

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crates/polysim-python/

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    epic:pythonEpic 6.2: Python bindingsphase:6Phase 6: Ecosystem (v2.5+)priority:P1Important — high value

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