piwheels

free-energy-landscape

Builds the free energy landscape of a molecular dynamics simulation from two collective variables, segments it into metastable states by watershed, and reports a representative frame for each one.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install free-energy-landscape

Dependencies

• imageio
• matplotlib
• numpy
• scipy
• joblib

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
2.0.1	2026-08-15
free_energy_landscape-2.0.1-py3-none-any.whl (28 KB)
2.0.0	2026-08-15
free_energy_landscape-2.0.0-py3-none-any.whl (28 KB)
1.0.3	2024-03-21
free_energy_landscape-1.0.3-py3-none-any.whl (17 KB)
1.0.2	2024-02-29
free_energy_landscape-1.0.2-py3-none-any.whl (21 KB)
1.0.1	2024-02-29
free_energy_landscape-1.0.1-py3-none-any.whl (21 KB)
1.0.0	2024-02-29
free_energy_landscape-1.0.0-py3-none-any.whl (21 KB)
0.0.5	2024-02-23
free_energy_landscape-0.0.5-py3-none-any.whl (17 KB)
0.0.4	2024-02-21
free_energy_landscape-0.0.4-py3-none-any.whl (17 KB)
0.0.3	2024-02-20
free_energy_landscape-0.0.3-py3-none-any.whl (17 KB)
0.0.2	2024-02-20
free_energy_landscape-0.0.2-py3-none-any.whl (14 KB)
0.0.1	2024-02-20
free_energy_landscape-0.0.1-py3-none-any.whl (14 KB)

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