Mjolnir-MD / Mjolnir
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
- 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☆21Updated 11 months ago
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆31Updated this week
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated 5 months ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 2 years ago
- Prepare topology and coordinate file for CG models in Genesis.☆11Updated 5 months ago
- ☆52Updated last year
- psi4+RDKit☆98Updated 2 years ago
- C++11/Python3 library to read/write High Speed AFM data file☆13Updated last year
- ☆39Updated 2 months ago
- learning coarse-grained force fields☆59Updated 3 years ago
- Sire Molecular Simulations Framework☆94Updated last year
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆32Updated 2 years ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated last year
- Workshop teaching QMMM using Amber☆59Updated 2 years 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
- Modeling with limited data☆56Updated 3 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆34Updated 2 weeks ago
- Trusted force field files for gromacs☆44Updated 3 months ago
- Robust Equilibration Detection☆18Updated this week
- Enhanced sampling methods for molecular dynamics simulations☆36Updated 2 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆77Updated 5 months ago
- Force fields in various formats☆26Updated 9 months ago
- helPME: an efficient library for particle mesh Ewald☆28Updated 2 years ago
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆42Updated 3 years ago
- The MDAnalysis Toolkits Registry☆17Updated this week
- RESP with inter- and intra-molecular constraints in Psi4.☆30Updated last year
- Enable cheminformatics and quantum chemistry☆72Updated last year
- Fast PBC wrapping and unwrapping for VMD☆23Updated 2 months ago