Allow `apax` node with `data_file`

apax-hub / apax

A flexible and performant framework for training machine learning potentials.

MIT License

12 stars 1 forks source link

Allow `apax` node with `data_file` #268

Open PythonFZ opened 3 months ago

PythonFZ commented 3 months ago

https://github.com/apax-hub/apax/blob/13142e1138a61bc2752a274aea704c498a726ab9/apax/nodes/model.py#L40

Currently the Node only works with ase.Atoms deps, which are not provided inside the apax framework, therefore adding support for pure data_file would be good.