jax-md
MD simulator
A library for simulating molecular dynamics with automatic hardware acceleration and end-to-end differentiability using the JAX framework
Differentiable, Hardware Accelerated, Molecular Dynamics
1k stars
46 watching
198 forks
Language: Jupyter Notebook
last commit: 2 months ago
Linked from 1 awesome list
n2cholas/awesome-jaxRelated projects:
| Repository | Description | Stars |
|---|---|---|
 materialsvirtuallab/maml | A toolkit for machine learning in materials science, enabling the development of predictive models and simulations. | 376 |
 lammps/lammps | A parallel molecular dynamics simulation software package | 2,274 |
 usnistgov/jarvis | An open-source software package for data-driven materials design using atomistic simulations and machine learning techniques. | 318 |
 jonhiller/voxelyze | A library for simulating the behavior of 3D objects made up of multiple materials under various loads. | 74 |
 dynamiqs/dynamiqs | A high-performance quantum systems simulation library using JAX on GPUs | 184 |
 pierremifasol/lithography-simulation | Lithography simulation insights and methods using Jupyter Notebooks. | 95 |
 choderalab/openmmtools | A toolkit providing tools and methods for simulating molecular systems using the OpenMM engine | 255 |
 mbsim-env/mbsim | A software framework for simulating complex mechanical systems | 45 |
 jdelacroix/simiam | Educational tool for robotics that bridges theory and practice using MATLAB | 103 |
 ucl-bug/jaxdf | A JAX-based framework for creating differentiable numerical simulators with arbitrary discretizations. | 124 |
 acellera/htmd | A programmable platform for automating molecular simulations and data analysis in drug discovery. | 261 |
 madeapps/newton-dynamics | An integrated solution for real-time physics simulation environments | 954 |
 ymjdz/matlab-codes | MATLAB simulation software for navigation systems | 73 |
 wmd-group/carriercapture.jl | Software package for simulating carrier capture and recombination rates in semiconductors | 54 |
 mrchemsoft/mrchem | A numerical real-space code for molecular electronic structure calculations. | 30 |