Mjolnir-MD / MjolnirLinks
general purpose coarse-grained molecular dynamics simulation package
☆33Updated 2 years ago
Alternatives and similar repositories for Mjolnir
Users that are interested in Mjolnir are comparing it to the libraries listed below
Sorting:
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆33Updated 4 months ago
- 分子シミュレーションの理論や関連するトピックをまとめたノート☆25Updated last year
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated 3 months ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- Prepare topology and coordinate file for CG models in Genesis.☆11Updated 9 months ago
- Enhanced sampling methods for molecular dynamics simulations☆37Updated 2 years ago
- ☆54Updated 2 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- C++11/Python3 library to read/write High Speed AFM data file☆13Updated 2 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆35Updated 2 years ago
- Robust Equilibration Detection☆22Updated 2 months ago
- ☆22Updated last week
- ☆26Updated 2 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated this week
- Force fields in various formats☆26Updated last year
- A stripped-down set of just antechamber, sqm, and tleap.☆31Updated 3 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆79Updated 9 months ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last year
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- Sire Molecular Simulations Framework☆95Updated last year
- This is an old archived repository that we keep for our records. Please use recent GENESIS repository and do not use this one.☆12Updated 2 years ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆36Updated 3 weeks ago
- RESP with inter- and intra-molecular constraints in Psi4.☆31Updated 2 years ago
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆32Updated last week
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆29Updated 9 months ago
- Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…☆13Updated 3 years ago
- psi4+RDKit☆101Updated last month
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆35Updated 3 years ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated 7 months ago
- The MDAnalysis Toolkits Registry☆17Updated this week