Colvars / colvarsLinks
Collective variables library for molecular simulation and analysis programs
☆227Updated this 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☆205Updated last year
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆260Updated last week
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆160Updated this week
- Packmol - Initial configurations for molecular dynamics simulations☆284Updated this week
- Tinker: Software Tools for Molecular Design☆142Updated 3 weeks ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆282Updated last month
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆348Updated this week
- Systematic force field optimization.☆151Updated 7 months ago
- Visual Interactive Analysis of Molecular Dynamics☆299Updated last month
- LOOS: a lightweight object-oriented structure analysis library☆125Updated 3 months ago
- LiveCoMS GROMACS Tutorials Paper☆119Updated 6 years ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆231Updated last month
- the simple alchemistry library☆217Updated this week
- Biomolecular simulation trajectory/data analysis.☆151Updated last month
- A hierarchical, component based molecule builder☆193Updated last week
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆186Updated 2 years ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆310Updated last week
- An open source Python framework for transition interface and path sampling calculations.☆112Updated last month
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆259Updated 2 weeks ago
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆116Updated 3 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆130Updated last week
- Installable VMD as a python module☆142Updated last month
- a python package for the interfacial analysis of molecular simulations☆88Updated 3 weeks ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆178Updated 9 months ago
- An open tool implementing some recommended practices for analyzing alchemical free energy calculations☆128Updated last year
- Describe and apply transformation on molecular structures and topologies☆115Updated this week
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆175Updated last week
- molSimplify code☆194Updated this week
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆147Updated 10 months ago
- Molecular Orbital PACkage☆147Updated last month