Mjolnir-MD / MjolnirLinks
general purpose coarse-grained molecular dynamics simulation package
☆34Updated 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.☆34Updated 6 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☆26Updated last year
- An example of how to write a plugin for OpenMM☆31Updated last year
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆37Updated 2 years ago
- learning coarse-grained force fields☆63Updated 3 years ago
- Force Distribution Analysis (FDA) for GROMACS☆34Updated last year
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- 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
- OpenMM plugin to interface with PLUMED☆67Updated 6 months ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆78Updated 3 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated 5 months ago
- ☆56Updated 2 years ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated 4 months ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last week
- Prepare topology and coordinate file for CG models in Genesis.☆11Updated last month
- Enable cheminformatics and quantum chemistry☆75Updated last year
- Public domain forcefields for viparr☆18Updated 3 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated last month
- A Python implementation of the direct MaxFlux method for transition state search☆31Updated last month
- psi4+RDKit☆102Updated 3 months ago
- Modeling with limited data☆59Updated last month
- Fast PBC wrapping and unwrapping for VMD☆23Updated 9 months ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆47Updated 3 years ago
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- Population-based De Novo Molecule Generation, Using Grammatical Evolution☆41Updated 4 years 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…☆53Updated last year
- Best practice document for alchemical free energy calculations going to livecoms journal☆75Updated last week
- Get access to our MD data files.☆29Updated last year
- The MDAnalysis Toolkits Registry☆18Updated this week