mphowardlab / azpluginsLinks
A HOOMD-blue component for soft matter simulations.
☆25Updated this week
Alternatives and similar repositories for azplugins
Users that are interested in azplugins are comparing it to the libraries listed below
Sorting:
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- Software Suite for Advanced General Ensemble Simulations☆90Updated 2 years ago
- HOOMD-blue example scripts.☆37Updated this week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆18Updated 10 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- A simple Lennard-Jones molecular dynamics software☆28Updated last year
- Massively parallel hybrid particle-field molecular dynamics in Python.☆29Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 2 weeks ago
- The future of Packmol☆38Updated 4 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆82Updated last year
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆98Updated 3 months ago
- A tiny package to compute the dynamics of stochastic and molecular simulations☆28Updated 2 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆83Updated this week
- A class for conversion between zmatrices and cartesian coordinates☆34Updated 5 years ago
- Physical validation of molecular simulations☆57Updated 3 months ago
- ☆86Updated last year
- ARC - Automatic Rate Calculator☆46Updated last week
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago
- An open source Python framework for transition interface and path sampling calculations.☆115Updated 4 months ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆34Updated this week
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆68Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆54Updated last month
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆34Updated 3 years ago
- N-Dimensional MD engine with symmetry group constraints written in C☆50Updated last year
- Training Neural Network potentials through customizable routines in JAX.☆49Updated 2 months ago
- Machine learning interatomic potential for condensed-phase reactive chemistry☆21Updated last year
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆34Updated 7 months ago
- The source of the votca-csg and xtp packages☆53Updated this week
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year