luigibonati / masterclass-plumedLinks
☆11Updated last year
Alternatives and similar repositories for masterclass-plumed
Users that are interested in masterclass-plumed are comparing it to the libraries listed below
Sorting:
- ☆36Updated 9 months ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Updated 2 years ago
- ☆22Updated last week
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆30Updated last year
- Python code for generating Boresch restraints from MD simulations☆22Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆37Updated 11 months ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆22Updated 5 years ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆23Updated 3 years ago
- Enhanced sampling methods for molecular dynamics simulations☆37Updated 2 years ago
- Set up relative free energy calculations using a common scaffold☆24Updated 2 months ago
- Temperature generator for Replica Exchange MD simulations☆28Updated 2 years ago
- A collections of scripts for working molecular dynamics simulations☆43Updated last year
- Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).☆27Updated 6 months ago
- Collective variables by artificial neural networks☆9Updated 3 years ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆32Updated 4 months ago
- Useful Collective Variables for OpenMM☆13Updated last year
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆24Updated 5 years ago
- Repository for MD methods and analysis from submitted or published work☆18Updated 2 years ago
- Bayesian Multistate Bennett Acceptance Ratio Method☆13Updated last month
- Density based object completion over PBC.☆30Updated 6 months ago
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆14Updated last year
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆37Updated last year