p-j-smith / lipyphilicLinks
A Python toolkit for the analyis of lipid membrane simulations
☆30Updated 2 weeks ago
Alternatives and similar repositories for lipyphilic
Users that are interested in lipyphilic are comparing it to the libraries listed below
Sorting:
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Updated 3 years ago
- MDAnalysis tool to calculate membrane curvature.☆32Updated 10 months ago
- ☆25Updated 3 years ago
- Enhanced sampling methods for molecular dynamics simulations☆37Updated 2 years ago
- Density based object completion over PBC.☆30Updated 6 months ago
- The MDAnalysis Toolkits Registry☆17Updated this week
- Physical validation of molecular simulations☆56Updated 2 months ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆23Updated 3 years ago
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆14Updated this week
- A fast solver for large scale MBAR/UWHAM equations☆39Updated 9 months ago
- ☆36Updated 9 months ago
- OpenFF NAGL☆16Updated this week
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- Robust Equilibration Detection☆22Updated 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
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆28Updated 3 weeks ago
- RESP with inter- and intra-molecular constraints in Psi4.☆31Updated 2 years ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆24Updated 5 years ago
- Set up relative free energy calculations using a common scaffold☆24Updated 2 months ago
- Calculation of water/solvent partition coefficients with Gromacs.☆28Updated 8 months ago
- Main code repository for FATSLiM☆21Updated 3 years ago
- A python implementation of the string method with swarms of trajectories using GROMACS☆18Updated 2 years ago
- ☆11Updated 4 months ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆31Updated 11 months ago
- Automatic Mutual Information Noise Omission☆15Updated 8 months ago
- ☆54Updated 2 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆70Updated 2 years ago
- Package for consistent reporting of relative free energy results☆39Updated last week
- Temperature generator for Replica Exchange MD simulations☆28Updated 2 years ago
- TUPÃ: Electric field analyses for molecular simulations☆21Updated 3 weeks ago