External Packages¶
AIMNet2 is consumed by several external simulation and analysis packages. This section is the entry point for users coming from one of those tools. Each package's per-page banner is the canonical status; the table here is a navigation aid only.
| Package | Status | Page |
|---|---|---|
| ASE | Supported | ASE |
| pysisyphus | Supported | pysisyphus |
| TorchSim | Supported (in-tree) | TorchSim |
| Sella | Supported (via AIMNet2ASE) |
Sella |
OpenMM (openmmml) |
Supported upstream | OpenMM |
AMBER (torchani-amber) |
Supported upstream | AMBER |
SCM AMS (MLPotential engine) |
Supported upstream | SCM AMS |
ORCA (!ExtOpt) |
Supported upstream | ORCA |
Packages without a maintained AIMNet2 connector are intentionally omitted from this section.