Universal extensible molecular simulation engine

Repository for molar crate and its dependencies

[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility

Rust Wrapper around the GROMACS libxdrfile library. A low level api to read and write molecular trajectories in .xtc and .trr format.

Gromacs Analysis Library for Rust

Calculate lipid order parameters from Gromacs simulations

Read xtc files, fast.

Library for Reading Gromacs TPR Files

Construct substrates for molecular dynamics simulations.

Classic molecular dynamics data structure implemented in Rust.

trajectory analysis

Read MD trajectories in pure Rust. 🦀

MD toolbox written in rust

simple MD simulation program written in rust

In-progress Rust/WASM/wgpu/React tool/toy for simulating, visualizing, and exploring simulations at the atomic scale (with classical dynamics).

Basic utility for velocity autocorrelation written in Rust.

Simple parallel molecular dynamics simulation of a Lennard-Jones fluid in Rust 🦀

Center Any Group in a Gromacs Trajectory