scanberg / viamdLinks
Visual Interactive Analysis of Molecular Dynamics
☆315Updated this week
Alternatives and similar repositories for viamd
Users that are interested in viamd are comparing it to the libraries listed below
Sorting:
- OFFICIAL: AnteChamber PYthon Parser interfacE☆244Updated 7 months ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆343Updated last week
- the simple alchemistry library☆232Updated last month
- LiveCoMS GROMACS Tutorials Paper☆135Updated 6 years ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆181Updated last month
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆288Updated 3 months ago
- Collective variables library for molecular simulation and analysis programs☆237Updated this week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆329Updated last year
- Force fields produced by the Open Force Field Initiative☆174Updated last week
- Biomolecular simulation trajectory/data analysis.☆162Updated last month
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆312Updated last week
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆184Updated 4 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆376Updated last week
- Describe and apply transformation on molecular structures and topologies☆133Updated this week
- OpenMM tutorial for the MSBS course☆182Updated this week
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆285Updated last month
- Packmol - Initial configurations for molecular dynamics simulations☆328Updated last month
- Conversion tool for molecular simulations☆217Updated this week
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆164Updated last month
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆192Updated 2 years ago
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆443Updated last month
- Tinker: Software Tools for Molecular Design☆160Updated 2 weeks ago
- clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)☆126Updated last year
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆289Updated last month
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆167Updated 5 months ago
- tools for GROMACS☆132Updated 6 months ago
- automated reaction profile generation☆194Updated 2 months ago
- An open tool implementing some recommended practices for analyzing alchemical free energy calculations☆134Updated last year
- Parameter/topology editor and molecular simulator☆443Updated last week
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆146Updated last month