# "classic" TPS with openpathsampling for capped alanine dipeptide

```{toctree}
:maxdepth: 1
:caption: capped alanine dipeptide notebooks

1 pytorch: setup and TPS <1_pytorch_setup_and_TPS>
2: analysis <2_analysis>

1 keras: setup and TPS <1_keras_setup_and_TPS>
1.5 keras: continue TPS with new storage <1.5_keras_continue_TPS_with_new_storage>
```

This folder contains notebooks showcasing how to learn the committor of the transition between the C7_eq and α_R states of capped alanine dipeptide.
The protein is described using an internal coordinate representation to achieve a translation- and rotation-invariant description.