Mjolnir-MD / MjolnirLinks
general purpose coarse-grained molecular dynamics simulation package
☆35Updated 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.☆37Updated 8 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated 7 months ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆38Updated 3 years 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
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- learning coarse-grained force fields☆64Updated 3 years ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆80Updated last month
- Force Distribution Analysis (FDA) for GROMACS☆34Updated last year
- ☆57Updated 2 years ago
- OpenMM plugin to interface with PLUMED☆69Updated 8 months ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- Fast PBC wrapping and unwrapping for VMD☆23Updated 11 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated this week
- Enhanced sampling methods for molecular dynamics simulations☆40Updated 2 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆13Updated 2 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- Robust Equilibration Detection☆26Updated last month
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆24Updated last month
- LOOS: a lightweight object-oriented structure analysis library☆125Updated last week
- Modeling with limited data☆59Updated 3 months ago
- ☆26Updated 2 years ago
- Prepare topology and coordinate file for CG models in Genesis.☆12Updated 3 months ago
- Schrodinger-developed 2D Coordinate Generation☆45Updated 4 months ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆48Updated 3 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…☆55Updated last year
- Enable cheminformatics and quantum chemistry☆77Updated last year
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30Updated 3 years ago
- psi4+RDKit☆102Updated 5 months ago
- The MDAnalysis Toolkits Registry☆19Updated last week