lohedges / vmmcLinks
A C++ library to implement the "virtual-move" Monte Carlo algorithm for approximating the dynamical evolution of systems of strongly interacting overdamped particles.
☆20Updated 4 years ago
Alternatives and similar repositories for vmmc
Users that are interested in vmmc are comparing it to the libraries listed below
Sorting:
- C++ Library for Electrostatics☆16Updated 7 months ago
- Analysing trajectories with chemfiles☆13Updated 2 years ago
- This is a mirror. Please check our main website on gitlab.☆29Updated last month
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆73Updated 3 weeks ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆23Updated 3 years ago
- Monte Carlo and parallel tempering routines built on the pele foundation☆21Updated last year
- Python tool to manipulate Gaussian cube files☆44Updated last year
- Finite element methods for electronic structure calculations on small systems☆39Updated last week
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆79Updated 9 months ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago
- custom LAMMPS fix used for Brownian Dynamics Simulation (Overdamped Langevin)☆17Updated 3 years ago
- ☆19Updated 2 years ago
- ☆15Updated last year
- HAL's MD package: Highly Accelerated Large-scale Molecular Dynamics simulations☆22Updated last week
- Code for performing adversarial attacks on atomistic systems using NN potentials☆38Updated 2 years ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆17Updated last year
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last month
- Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for moderni…☆16Updated 7 years ago
- Python package for generating Markov state models☆18Updated 2 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆12Updated 2 years ago
- Numerical integration grid for molecules.☆50Updated 8 months ago
- TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation☆30Updated 2 months ago
- Software Suite for Advanced General Ensemble Simulations☆87Updated 2 years ago
- Fast computation of a gaussian and its derivative on a grid.☆30Updated last week
- MolMod is a collection of molecular modelling tools for python.☆58Updated last year
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinates☆86Updated last month
- A HOOMD-blue component for soft matter simulations.☆23Updated 2 months ago
- PyGBe: Python, GPUs and Boundary elements for electrostatics☆67Updated last year
- Huxel: Huckel model + JAX (parameter optimization)☆10Updated 2 years ago