GROMACS
Molecular dynamics package for biomolecular simulation.
- Category
- Scientific Computing and Simulation
- Language
- —
- Platform
- See upstream
- Hardware / HPC
- See upstream
- License
- Check upstream terms
SOFTWARE & TECHNICAL REFERENCES
Scientific Computing
Simulation, scientific applications, numerical solvers, and research software.
3 published records
Request an application →| Application | Category | Language | Platform | Hardware / HPC | Installation | License | Links | Support |
|---|---|---|---|---|---|---|---|---|
| GROMACSMolecular dynamics package for biomolecular simulation.Software · GROMACS Development Team | Scientific Computing and Simulation | — | See upstream | See upstream | Project docs | Check upstream terms | Source ↗Docs ↗ | Ask MCR Tech |
| LAMMPSMolecular simulation package for materials modeling and particle-based simulations.Software · LAMMPS Developers | Scientific Computing and Simulation | — | See upstream | See upstream | Commands available | Check upstream terms | Source ↗Docs ↗ | Ask MCR Tech |
| Quantum ESPRESSOOpen-source suite for electronic-structure and materials simulations.Software · Quantum ESPRESSO Foundation | Scientific Computing and Simulation | — | See upstream | See upstream | Project docs | Check upstream terms | Source ↗Docs ↗ | Ask MCR Tech |
LAMMPS
Molecular simulation package for materials modeling and particle-based simulations.
- Category
- Scientific Computing and Simulation
- Language
- —
- Platform
- See upstream
- Hardware / HPC
- See upstream
- License
- Check upstream terms
Quantum ESPRESSO
Open-source suite for electronic-structure and materials simulations.
- Category
- Scientific Computing and Simulation
- Language
- —
- Platform
- See upstream
- Hardware / HPC
- See upstream
- License
- Check upstream terms