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PyMPFIT
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Getting Started

  • Introduction
  • Installation
  • Tutorials
    • Quick Start
    • GDMA Multipoles
    • MBIS Multipoles
    • Constrained Fitting
    • Multi-Molecule Constrained Parameterization
    • Bayesian Virtual Site Fitting

User Guide

  • Theory

Reference

  • API
    • pympfit.mpfit
    • pympfit.gdma
    • pympfit.mbis
    • pympfit.optimize
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TutorialsΒΆ

Step-by-step guides for common workflows.

  • Quick Start
  • GDMA Multipoles
  • MBIS Multipoles
  • Constrained Fitting
  • Multi-Molecule Constrained Parameterization
  • Bayesian Virtual Site Fitting
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