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.☆38Updated 3 weeks ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated 8 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
- Prepare topology and coordinate file for CG models in Genesis.☆12Updated 5 months ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆35Updated 2 years ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated last month
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆14Updated 3 months ago
- NAMD's psfgen + Python improvements☆16Updated last year
- Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…☆13Updated 4 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆38Updated 3 years ago
- OpenMM plugin to interface with PLUMED☆71Updated last month
- Robust Equilibration Detection☆26Updated 2 months ago
- ☆58Updated 2 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆37Updated last month
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆31Updated last year
- An application for configuring and running simulations with OpenMM☆75Updated last month
- OpenMM plugin to interface with XTB☆18Updated last month
- Modeling with limited data☆59Updated 4 months ago
- Force Distribution Analysis (FDA) for GROMACS☆35Updated last year
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Updated 2 months ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated last year
- Get access to our MD data files.☆29Updated 2 years ago
- psi4+RDKit☆104Updated 6 months ago
- Best practice document for alchemical free energy calculations going to livecoms journal☆80Updated last week
- 『Pythonで動かしてはじめる量子化学計算』(コロナ社,2024)☆21Updated last year
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆56Updated 3 weeks ago
- ☆26Updated 2 years ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆81Updated 2 months ago