Python interfaces for the plumed library with enhanced sampling.

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  • License: GNU LESSER GENERAL PUBLIC LICENSE
  • Requires: Python >=3.11
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hillclimber

hillclimber is a Python framework for enhanced sampling with PLUMED. It provides high-level, Pythonic interfaces for configuring metadynamics simulations, making it easy to explore rare events and climb energy barriers in molecular dynamics simulations.

Installation

uv add hillclimber

Or with pip:

pip install hillclimber

Units

hillclimber uses ASE units throughout the package:

  • Distances: Ångström / Å
  • Energies: electronvolt / eV
  • Time: femtoseconds / fs
  • Temperature: Kelvin / K

Documentation

Currently, there is no documentation available. Please refer to /examples for usage examples.

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  • License: GNU LESSER GENERAL PUBLIC LICENSE
  • Requires: Python >=3.11

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0.1.8

0.1.7

0.1.6

0.1.5

This version

0.1.5a8 pre-release

0.1.5a7 pre-release

0.1.0a5 pre-release

0.1.0a4 pre-release

0.1.0a3 pre-release

0.1.0a2 pre-release

0.1.0a1 pre-release

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