MDAnalysis / membrane-curvature
MDAnalysis tool to calculate membrane curvature.
☆31Updated 6 months ago
Alternatives and similar repositories for membrane-curvature:
Users that are interested in membrane-curvature are comparing it to the libraries listed below
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆31Updated 7 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆29Updated 2 months ago
- Density based object completion over PBC.☆27Updated 2 months ago
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆30Updated last year
- MDANCE is a flexible n-ary clustering package for all applications.☆45Updated this week
- Physical validation of molecular simulations☆56Updated last month
- Robust Equilibration Detection☆19Updated last week
- ☆33Updated 5 months ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆23Updated 3 years ago
- Package for consistent reporting of relative free energy results☆37Updated last month
- RESP with inter- and intra-molecular constraints in Psi4.☆30Updated last year
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆58Updated last year
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 2 years ago
- Enhanced sampling methods for molecular dynamics simulations☆36Updated 2 years ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 6 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆65Updated last year
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆24Updated 4 years ago
- ☆15Updated 2 years ago
- Standalone charge assignment from Espaloma framework.☆38Updated 7 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆37Updated 10 months ago
- ☆10Updated 5 years ago
- A collections of scripts for working molecular dynamics simulations☆42Updated 9 months ago
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆52Updated 9 months ago
- This package contains tools for setting up hybrid-topology FE calculations☆26Updated last month
- A fast solver for large scale MBAR/UWHAM equations☆38Updated 5 months ago
- A python implementation of the string method with swarms of trajectories using GROMACS☆18Updated 2 years ago
- Advanced toolkit for binding free energy calculations☆32Updated last month
- Temperature generator for Replica Exchange MD simulations☆27Updated 2 years ago
- The MDAnalysis Toolkits Registry☆17Updated this week
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆29Updated 5 years ago