API Reference¶

Complete API reference for all MolPy modules. This documentation is automatically generated from source code using mkdocstrings.

Modules¶

Core: Fundamental data structures (Frame, Block, Box, Trajectory, etc.)
IO: File format readers and writers
Parser: SMILES/SMARTS parsing
Reacter: Chemical reaction modeling
Builder: Molecular construction tools
Pack: Molecular packing algorithms
Potential: Force field potential functions
Adapter: External tool integrations
Typifier: Automatic atom typing
Op: Geometric operations