Stars
A high-performance, pure Rust library for calculating dynamic partial atomic charges using the Charge Equilibration (QEq) method, applicable to any molecular system.
A constraint-based metabolic model-based workflow for computing and analyzing microbial strain designs which couple a target reaction to growth
Rust GUI components for building fantastic cross-platform desktop application by using GPUI.
Computational chemistry template-based input generator
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Vulkan/CUDA/HIP/OpenCL/Level Zero/Metal Fast Fourier Transform library
A semi-automated force field converter for GROMACS. Enables users to easily convert a system between two all-atom force fields. Requires .itp's for each molecule type and a coordinate file for the …
Array of Struct to Struct of Array helpers in Rust
Force fields produced by the Open Force Field Initiative
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
RustFFT is a high-performance FFT library written in pure Rust.
Library for Electrolyte Solutions and Electrostatic Interactions
Reticulum Networking Stack implementation written in Rust
Up-to-date builds of current stm32-rs master branch, for use as Cargo git dependencies
Heapless, `static` friendly data structures
C0d3 v@ul7 for the viral educational game Hoopsketball
General purpose GPU compute framework built on Vulkan to support 1000s of cross vendor graphics cards (AMD, Qualcomm, NVIDIA & friends). Blazing fast, mobile-enabled, asynchronous and optimized for…
rust-based high-performance protein visualization toolkit