MDCraft

5.9easy start · #78 of 91
in Physics Simulation Software

Free to practise onnot on record
Free trialnot on record
Well documentedyes
Runs where you workyes

Runs on Linux, Mac, Windows.

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MDCraft is ranked #78 of 91 in physics simulation software on The Geeks Club. It runs on Linux, macOS, Windows.

Compared on physics simulation software

Free plan: Yes

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The record

Purpose: MDCraft is a Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems, covering work from simulation setup through post-processing.
Analysis: Its analysis tools include high-level classes and low-level optimized algorithms for calculating properties from simulation data.
OpenMM support: The OpenMM submodule provides helpers for setting up simulations, including coarse-grained simulations with reduced units.
Plotting: The plot submodule supports visualizing analysis results in publication-ready figures using Matplotlib.
Integrations: The documentation describes OpenMM simulation helpers and a LAMMPS trajectory reader and topology utilities.
Install options: MDCraft can be installed from PyPI, Anaconda, or source using pip or Conda/Mamba.
Python requirement: MDCraft requires Python 3.9 or later.
OpenMM prerequisite: Users installing with pip who plan to use OpenMM must compile and build OpenMM themselves; Conda/Mamba users can install it through those package managers.
Image charge dependency: Using the OpenMM image-charge method requires installing constvplugin or openmm-ic-plugin.
Tutorial status: The documentation describes its curated user-guide examples as work in progress.
Support and contributions: The project invites questions in GitHub Discussions, bug reports and feature requests through issues, and contributions through pull requests.
Security: The opened documentation and repository pages provide no stated security or compliance commitments.
Maker: The documentation copyright names Benjamin Ye and Pierre Walker; the opened pages do not state a company name or headquarters.

Where it ranks on The Geeks Club

Best Physics Simulation Software in 2026#78 of 91

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Sources

mdcraft.readthedocs.io/en/latest/· checked 5 Oct 2026
mdcraft.readthedocs.io/en/latest/notebooks/getting_started/qui· checked 5 Oct 2026
mdcraft.readthedocs.io/en/v1.3.0/notebooks/getting_started/qui· checked 5 Oct 2026
mdcraft.readthedocs.io/en/latest/notebooks/getting_started/ins· checked 5 Oct 2026
github.com/bbye98/mdcraft/blob/main/CONTRIBUTING.m· checked 5 Oct 2026