LeMat-Traj

LeMat-Traj is a research-grade energy / force trajectory dataset focused on large materials trajectories with energies and forces for universal ML interatomic potentials, relaxation, and active-learning workflows. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: LeMat-Traj. Materials dataset resource. https://huggingface.co/datasets/LeMaterial/LeMat-Traj

Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.