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LAMMPS alternatives
3 tools to consider instead of LAMMPS, shown against it.
| LAMMPS | GROMACS | Materials Project | ROOT | |
|---|---|---|---|---|
| Vendor | Sandia National Laboratories (US DOE) | GROMACS development team (academic consortium) | Lawrence Berkeley National Laboratory (US DOE) | CERN |
| Pricing model | Open source + paid options | Open source + paid options | Free | Open source + paid options |
| Free tier | Yes | Yes | Yes | Yes |
| Deployment | Self-hosted | Self-hosted | Cloud | Self-hosted |
| Open source | Yes (GPL-2.0) | Yes (LGPL-2.1) | No | Yes (LGPL-2.1) |
| Best for | Computational materials scientists and chemists running large-scale atomistic molecular dynamics simulations. | Structural biologists and biophysicists simulating proteins, membranes and other biomolecules at speed. | Materials scientists screening candidate compounds computationally before lab synthesis. | Particle and nuclear physicists processing and analyzing very large experimental event datasets. |
| Pricing | Free and open source; developed with US Department of Energy funding. Pricing has not been verified yet — see the vendor's site. | Free and open source; maintained by an academic development consortium. Pricing has not been verified yet — see the vendor's site. | Free with API key registration; funded by the US Department of Energy. Pricing has not been verified yet — see the vendor's site. | Free and open source; developed and maintained by CERN. Pricing has not been verified yet — see the vendor's site. |
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