MDCraft vs MPTRAC
MDCraft
mdcraft.readthedocs.ioMPTRAC
slcs-jsc.github.ioSide by side
| Figure | MDCraft | MPTRAC |
|---|---|---|
| Price from | — | Free |
| Free plan | — | Yes |
| Free trial | — | — |
| Open source | — | — |
| Web | — | Yes |
| Windows | Yes | — |
| macOS | Yes | — |
| Linux | Yes | Yes |
| Self-hosted | — | Yes |
| Plans published | 0 | 2 |
| Spec score · Physics Simulation Software | 7.0 (#80) | 8.7 (#7) |
| Free plan | Yes | Yes |
| Integrations | The documentation describes OpenMM simulation helpers and a LAMMPS trajectory reader and topology utilities. | The documentation describes visualization interfaces for Gnuplot and ParaView and output formats that support integration with the CLaMS model. |
| License | The project repository identifies MDCraft as licensed under GPL-3.0. | The repository states that MPTRAC is distributed under the GNU General Public License v3.0. |
| Purpose | MDCraft is a Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems. | MPTRAC is a Lagrangian particle dispersion model for analyzing atmospheric transport in the free troposphere and stratosphere. |
Plans
In their own words
MDCraft
MDCraft has no write-up on Specifiction yet; its figures are above.
MPTRAC
MPTRAC is a Lagrangian particle dispersion model for studying atmospheric transport in the free troposphere and stratosphere. It calculates forward and backward air-parcel trajectories from meteorological wind fields, with stochastic diffusion, subgrid wind variation and mixing between parcels. Optional process parameterizations cover convection, sedimentation, decay, gas-phase and aqueous-phase chemistry, and wet and dry deposition. Listed research applications include long-range pollutant transport, volcanic ash dispersion, tracer experiments and atmospheric chemistry.
The browser-based Web Runner can configure, run and visualize simulations, then download results without local installation. It is limited to 10,000 air parcels, 30 days and 10 minutes of model runtime. The model needs meteorological input, normally netCDF files on a regular pressure, longitude and latitude grid. MPTRAC supports hybrid MPI, OpenMP and OpenACC parallelization, and offers visualization interfaces for Gnuplot and ParaView. It is GPL-3.0 software for Linux, self-hosted and web use; listed pricing includes free.