mjohn218 / NERDSS
NonEquilibrium Reaction-Diffusion Self-assembly Simulator
☆13Updated this week
Related projects ⓘ
Alternatives and complementary repositories for NERDSS
- Python / C++ based particle reaction-diffusion simulator☆54Updated 2 years ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 14 years ago
- CHAP is a tool for the functional annotation of ion channel structures:☆20Updated 9 months ago
- LASSI - Lattice Simulation Engine For Stickers And Spacer Interactions☆15Updated 3 months ago
- Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for moderni…☆15Updated 7 years ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Updated 8 years ago
- 2D and 3D wormlike chain generator for Python and written in C++☆17Updated 4 years ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆11Updated 3 years ago
- ☆15Updated last year
- NMR Chemical Shifts from Molecular Dynamics Simulation☆11Updated 3 years ago
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆16Updated 2 years ago
- kinetic isotope effect prediction with Gaussian☆15Updated last year
- Tools for ThermoML parsing☆19Updated 3 years ago
- Python Tools for NAMD☆19Updated last year
- custom LAMMPS fix used for Brownian Dynamics Simulation (Overdamped Langevin)☆17Updated 3 years ago
- ☆23Updated last year
- Robust and stable clustering of molecular dynamics simulation trajectories.☆16Updated 2 years ago
- a package to simulate biomembranes at mesoscale☆24Updated this week
- Mapping from Coarse Grain Models to Atomistic (and Back)☆15Updated last year
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆11Updated 5 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆31Updated 2 years ago
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 5 months ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆32Updated 2 years ago
- A HOOMD-blue component for soft matter simulations.☆21Updated last month
- A simple Lennard-Jones molecular dynamics software☆25Updated 4 months ago
- ☆15Updated 4 years ago
- ANN based NMR peak picker☆16Updated last month
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆33Updated last year
- ☆12Updated 6 months ago
- Source code for HOLE program.☆30Updated 2 months ago