...
| Software | Description | Path | in molecular_structures_client.pp |
|---|---|---|---|
| gromacs | package to perform molecular dynamics | ||
| mgltools | software for visualization and analysis of molecular structures | ||
| nwchem | computes properties of molecular and periodic systems |
Other software Packages
| Software | Descripition | Path | puppet file |
|---|---|---|---|
| tensorflow | platform for machine learning | python | compute_server.pp |
| keras | high-level API of TensorFlow | python | compute_server.pp |
...