Colvars / colvarsLinks
Collective variables library for molecular simulation and analysis programs
☆237Updated last week
Alternatives and similar repositories for colvars
Users that are interested in colvars are comparing it to the libraries listed below
Sorting:
- Conversion tool for molecular simulations☆223Updated 2 weeks ago
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆291Updated 3 months ago
- A package for atom-typing as well as applying and disseminating forcefields☆140Updated last week
- Tinker: Software Tools for Molecular Design☆160Updated this week
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆182Updated last month
- Biomolecular simulation trajectory/data analysis.☆163Updated this week
- A hierarchical, component based molecule builder☆208Updated last week
- Packmol - Initial configurations for molecular dynamics simulations☆338Updated last week
- Systematic force field optimization.☆157Updated last year
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆292Updated 2 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆313Updated last month
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆379Updated 2 weeks ago
- LOOS: a lightweight object-oriented structure analysis library☆127Updated 3 months ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆185Updated 5 months ago
- Installable VMD as a python module☆148Updated 7 months ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆245Updated 3 weeks ago
- molSimplify code☆210Updated last week
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆125Updated 4 years ago
- the simple alchemistry library☆232Updated 2 weeks ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆346Updated last month
- Force fields produced by the Open Force Field Initiative☆175Updated 3 weeks ago
- Molecular Orbital PACkage☆167Updated this week
- An open source Python framework for transition interface and path sampling calculations.☆116Updated last month
- a python package for the interfacial analysis of molecular simulations☆94Updated 2 weeks ago
- automated reaction profile generation☆196Updated 3 weeks ago
- Visual Interactive Analysis of Molecular Dynamics☆315Updated 2 weeks ago
- LiveCoMS GROMACS Tutorials Paper☆137Updated 6 years ago
- Geometry optimization code that includes the TRIC coordinate system☆202Updated last week
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆153Updated 2 months ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆193Updated 2 years ago