Semi-empirical potential fitting in Python

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  • License Expression: MIT
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  • Author: Pranav Kumar
  • Requires: Python >=3.11
  • Provides-Extra: mpi , numba , jax , test , doc
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ForgeFF: semi-empirical potential fitting in Python

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ForgeFF is a Python toolkit for fitting semi-empirical interatomic potentials. It keeps the model equations, parameter order, and fitting workflow explicit so the fundamentals stay easy to inspect and explain.

The recommended user-facing format is TOML:

  • custom analytic pair potentials
  • built-in analytical forms such as Morse and double-Morse
  • tabulated EAM and ADP term blocks
  • beginner-friendly examples for training, evaluation, grading, and calculators

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  • License Expression: MIT
    SPDX License Expression
  • Author: Pranav Kumar
  • Requires: Python >=3.11
  • Provides-Extra: mpi , numba , jax , test , doc
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1.1.6

1.1.5

1.1.4

1.1.3

1.1.2

1.1.1

1.1.0

1.0.3

1.0.2

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1.0.1

1.0.0

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