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Build packed models for molecular dynamics simulations, from simple and small boxes to complex and large mesoscale models.

Bentopy provides tools for determining masks for molecule placement, packing of complex models, and very fast solvation and ion placement.

These tools are force-field agnostic and can be integrated into molecular dynamics pipelines for different simulation packages. Bentopy has been used to help build systems ranging from entire cell models in the Martini force field to atomistic aerosols.