mdapy

Mdapy: molecular dynamics simulation analysis in Python

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HerrWu

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Project description

Overview

The mdapy provides a comprehensive suite of powerful, flexible, and straightforward tools for analyzing atomic trajectories generated from Molecular Dynamics (MD) simulations.

Resources

Homepage: https://github.com/mushroomfire/mdapy
Documentation: https://mdapy.readthedocs.io/
Issue Tracker: https://github.com/mushroomfire/mdapy/issues
Tutorial: https://github.com/mushroomfire/mdapy-tutorial

Project details

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Release history Release notifications | RSS feed

1.0.7

May 22, 2026

1.0.6

May 6, 2026

1.0.6a2 pre-release

May 6, 2026

1.0.6a1 pre-release

May 4, 2026

1.0.5

May 1, 2026

1.0.5a1 pre-release

Apr 28, 2026

1.0.4

Apr 24, 2026

1.0.4a1 pre-release

Apr 1, 2026

1.0.3

Mar 28, 2026

1.0.2

Mar 4, 2026

1.0.1

Mar 2, 2026

1.0.1a1 pre-release

Feb 3, 2026

1.0.0

Jan 3, 2026

1.0.0a3 pre-release

Dec 17, 2025

1.0.0a2 pre-release

Dec 6, 2025

This version

1.0.0a1 pre-release

Dec 2, 2025

0.11.5

Nov 27, 2024

0.11.4

Nov 12, 2024

0.11.3

Sep 24, 2024

0.11.2

Sep 23, 2024

0.11.1

Sep 18, 2024

0.11.0

Jun 22, 2024

0.10.9

Jun 20, 2024

0.10.8

May 17, 2024

0.10.7

Apr 25, 2024

0.10.6

Apr 14, 2024

0.10.5

Apr 12, 2024

0.10.4

Mar 12, 2024

0.10.3

Jan 30, 2024

0.10.2

Jan 8, 2024

0.10.1

Dec 18, 2023

0.10.0

Nov 28, 2023

0.9.9

Nov 21, 2023

0.9.8

Nov 13, 2023

0.9.7

Nov 5, 2023

0.9.6

Nov 2, 2023

0.9.5

Oct 24, 2023

0.9.4

Oct 20, 2023

0.9.3

Oct 19, 2023

0.9.2

Oct 12, 2023

0.9.1

Oct 10, 2023

0.9.0

Sep 23, 2023

0.8.9

Sep 5, 2023

0.8.8

Aug 24, 2023

0.8.7

May 25, 2023

0.8.6

Apr 22, 2023

0.8.5

Apr 9, 2023

0.8.4

Mar 30, 2023

0.8.3

Mar 20, 2023

0.8.2

Mar 13, 2023

0.8.1

Mar 12, 2023

0.8.0

Feb 28, 2023

0.7.9

Feb 13, 2023

0.7.8

Jan 20, 2023

0.7.7

Jan 18, 2023

0.7.6

Jan 6, 2023

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