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docs: full Doxygen API documentation for maps and grids
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docs: full Doxygen API documentation for reflection data
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docs: full Doxygen API documentation for structure I/O
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docs: full Doxygen API documentation for CIF handling
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docs: full Doxygen API documentation for core data structures
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docs: add Doxygen/Breathe infrastructure for C++ API reference
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more wasm
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Fix stack buffer overflow in BATCH record writing
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Fix stack buffer overflow in BATCH record writing
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expose sec. struct. for gemmimol
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Export make_ace_graph_view for Python binding
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Export detect_rings_acedrg for Python binding
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Split AceDRG ring aromaticity into reusable API
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Add __hash__ to ResidueId and AtomAddress Python bindings (closes #408)
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update fast_float.h to 8.2.4
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chemcomp_xyz: add restraint refinement
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chemcomp_xyz: seed simple planar fragments
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