Our group just released an open-source MLFF training pipeline

We just open-sourced our workflow for training equivariant force fields from VASP trajectories. The pipeline handles dataset ingestion, neighbor-list caching, distributed training, and active-learning uncertainty triggers. We spent most of our time on data cleaning because mislabeled stress tensors were silently hurting training stability.

The repository includes ready-to-run templates for silicon, Li-ion electrolyte clusters, and oxide surfaces. Feedback is very welcome, especially on experiment tracking and model-card sections. If there is interest, I can post a companion notebook showing integration with ASE geometry optimization.