Concepts¶
These pages explain the why behind TrainCraft's design — the abstractions, conventions, and invariants that govern every part of the system.
You don't need to read these to use TrainCraft, but they'll help you:
- Write custom plugins (builders, calculators, samplers)
- Understand why your configs behave the way they do
- Debug unexpected results
- Design extensions that fit naturally into the architecture
| Concept | What it covers |
|---|---|
| Architecture | The full pipeline and plugin system |
| Geometry System | Sources, builders, and transform composition |
| Calculators & DFT Labeling | Exploration vs labeling; FHI-aims/QE, DFPT |
| Fragment Identity | How atoms are grouped for MC sampling |
| Provenance | How every frame records its history |
| Selection Funnel | The stages and their ordering |