Roadmap
verlet is under active development. LAMMPS is the engine supported today.
In the preview
Section titled “In the preview”Simulations with checked versions, runs on your computer and over SSH with a live view, the editor with completion and help from the manual, the agent, engine builds from a YAML spec, profiling on Linux, and the desktop app on macOS.
Planned
Section titled “Planned”| Linux and Windows desktop apps | After testing. |
| More MD engines | The same versions, runs, live view, editor and agent for other engines. |
| Slurm | Submit to the queue with the same live view. |
| Cloud environments | Start nodes on a cloud account, prepare, run, shut down. |
| Building the initial system | Data files, molecules and force fields from a description, with a 3D preview. |
| Analysis | RDF, MSD, block averages with error bars, plots, without Python. |
| Shareable bundles | A run with its inputs, binary and outputs that someone else can open or rerun. |