Tsjerk / InsaneLinks
INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
☆63Updated last year
Alternatives and similar repositories for Insane
Users that are interested in Insane are comparing it to the libraries listed below
Sorting:
- ☆54Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆82Updated last month
- Martini 3 small-molecule database☆61Updated 10 months ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- A tool for setting up free energy simulations.☆35Updated 2 years ago
- Describe and apply transformation on molecular structures and topologies☆115Updated last month
- Trusted force field files for gromacs☆52Updated 7 months ago
- Analysis of non-covalent interactions in MD trajectories☆58Updated 5 months ago
- OpenMM plugin to interface with PLUMED☆66Updated 3 months ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆70Updated 2 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆35Updated 3 years ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆25Updated this week
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated 2 years ago
- GridMAT-MD membrane analysis program☆25Updated 6 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆37Updated 11 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Updated 2 years ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆124Updated 3 months ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆46Updated 4 years ago
- Density based object completion over PBC.☆30Updated 6 months ago
- Best practice document for alchemical free energy calculations going to livecoms journal☆74Updated last week
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆134Updated last week
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆65Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆62Updated 4 years ago
- ☆65Updated last year
- Force Fields☆62Updated 4 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆37Updated last year
- Workshop teaching QMMM using Amber☆63Updated 2 years ago
- PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods☆77Updated 2 years ago
- An application for configuring and running simulations with OpenMM☆70Updated this week