mphowardlab / azpluginsLinks
A HOOMD-blue component for soft matter simulations.
☆23Updated last 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☆32Updated 11 months ago
- HOOMD-blue example scripts.☆35Updated last week
- Software Suite for Advanced General Ensemble Simulations☆88Updated 2 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆79Updated 10 months ago
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆17Updated 8 months ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆27Updated 10 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 4 months ago
- The future of Packmol☆35Updated last month
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆92Updated 3 weeks ago
- A tiny package to compute the dynamics of stochastic and molecular simulations☆27Updated 2 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 5 months ago
- Physical validation of molecular simulations☆56Updated last week
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆34Updated last year
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- Flexible storage of chemical topology for molecular simulation☆62Updated last week
- ARC - Automatic Rate Calculator☆46Updated this week
- Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in h…☆11Updated 3 months ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated 2 months ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆34Updated 3 years ago
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Updated 5 years ago
- A simple Lennard-Jones molecular dynamics software☆26Updated last year
- N-Dimensional MD engine with symmetry group constraints written in C☆48Updated 11 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆31Updated last month
- ☆84Updated 10 months ago
- An open source Python framework for transition interface and path sampling calculations.☆112Updated last month
- Basis set optimization library for quantum chemistry☆35Updated 2 weeks ago
- Implementation of the EMUS algorithm for recombining multiple biased data sources in python☆14Updated last year
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆33Updated 5 months ago
- A class for conversion between zmatrices and cartesian coordinates☆33Updated 5 years ago
- How to analyze molecular dynamics data with PyEMMA☆76Updated 6 years ago