genesis-release-r-ccs / genesis
Source, test set, and document for Molecular Dynamics software, GENESIS.
☆32Updated 3 months ago
Alternatives and similar repositories for genesis
Users that are interested in genesis are comparing it to the libraries listed below
Sorting:
- Enhanced sampling methods for molecular dynamics simulations☆36Updated 2 years ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆63Updated 2 years ago
- ☆54Updated 2 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆34Updated 2 years ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated 5 months ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆45Updated 4 years ago
- helPME: an efficient library for particle mesh Ewald☆28Updated 3 years ago
- ☆11Updated 3 months ago
- The future of Packmol☆33Updated last week
- Density based object completion over PBC.☆30Updated 5 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆30Updated 2 months ago
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆72Updated this week
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆32Updated 5 years ago
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆88Updated 6 months ago
- Martini 3 small-molecule database☆60Updated 8 months ago
- A stripped-down set of just antechamber, sqm, and tleap.☆31Updated 3 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- Physical validation of molecular simulations☆56Updated last month
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆35Updated 3 years ago
- ☆25Updated 3 years ago
- A fast solver for large scale MBAR/UWHAM equations☆39Updated 8 months ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆67Updated last year
- GridMAT-MD membrane analysis program☆24Updated 6 years ago
- Temperature generator for Replica Exchange MD simulations☆28Updated 2 years ago
- Implementation of the Reference Interaction-Site Model (RISM) equation☆19Updated last month
- Robust Equilibration Detection☆22Updated 3 weeks ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆97Updated 10 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- Yasara plugins for Gromacs users☆27Updated last year