LLNL / ddcMDLinks
A fully GPU-accelerated molecular dynamics program for the Martini force field
☆35Updated 2 years ago
Alternatives and similar repositories for ddcMD
Users that are interested in ddcMD are comparing it to the libraries listed below
Sorting:
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- The MDAnalysis Toolkits Registry☆19Updated this week
- ☆11Updated 7 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆32Updated 2 months ago
- Physical validation of molecular simulations☆57Updated last week
- Enhanced sampling methods for molecular dynamics simulations☆39Updated 2 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆37Updated 2 years ago
- A fast solver for large scale MBAR/UWHAM equations☆40Updated last year
- OpenMM plugin to interface with PLUMED☆68Updated 7 months ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆80Updated last month
- RESP with inter- and intra-molecular constraints in Psi4.☆32Updated 2 years ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆33Updated 3 months ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆101Updated last year
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆53Updated this week
- 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…☆54Updated last year
- High-performance operations for neural network potentials☆93Updated 7 months ago
- A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format☆30Updated last year
- A comprehensive toolkit for predicting free energies☆56Updated 9 months ago
- A stripped-down set of just antechamber, sqm, and tleap.☆33Updated 4 years ago
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆98Updated 3 months ago
- High level API for using machine learning models in OpenMM simulations☆126Updated last month
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆36Updated 7 months ago
- 📐 Symmetry-corrected RMSD in Python☆105Updated last month
- Tinker-GPU: Next Generation of Tinker with GPU Support☆55Updated 3 weeks ago
- OpenMM plugin to interface with XTB☆17Updated 8 months ago
- ☆25Updated 3 years ago
- Package for consistent reporting of relative free energy results☆39Updated this week