plumed / plumed2Links
Development version of plumed 2
☆477Updated this week
Alternatives and similar repositories for plumed2
Users that are interested in plumed2 are comparing it to the libraries listed below
Sorting:
- Packmol - Initial configurations for molecular dynamics simulations☆330Updated last week
- Semiempirical Extended Tight-Binding Program Package☆741Updated last month
- Collective variables library for molecular simulation and analysis programs☆237Updated this week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆377Updated last week
- Parsers and algorithms for computational chemistry logfiles☆385Updated this week
- An open library for the analysis of molecular dynamics trajectories☆687Updated last week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆309Updated 2 months ago
- Conversion tool for molecular simulations☆218Updated this week
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆289Updated 3 months ago
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆289Updated last month
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆455Updated 4 months ago
- Parameter/topology editor and molecular simulator☆444Updated 2 weeks ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆312Updated 2 weeks ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆380Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆343Updated 3 weeks ago
- i-PI: a universal force engine☆284Updated this week
- Visual Interactive Analysis of Molecular Dynamics☆315Updated this week
- n2p2 - A Neural Network Potential Package☆240Updated 10 months ago
- DFTB+ general package for performing fast atomistic simulations☆411Updated last week
- A Python package for manipulating atomistic data of software in computational science☆242Updated last week
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆443Updated last month
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆181Updated last month
- An open-source Python package for creating fast and accurate interatomic potentials.☆341Updated 4 months ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆375Updated last week
- Tool to build force field input files for molecular simulation☆185Updated 2 weeks ago
- the simple alchemistry library☆232Updated this week
- A hierarchical, component based molecule builder☆206Updated last week
- Molecular Orbital PACkage☆167Updated last month
- Biomolecular simulation trajectory/data analysis.☆162Updated 2 months ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆244Updated last week