HIP: Hessian Interatomic Potentials Without Derivatives

Code: https://github.com/BurgerAndreas/hip
Paper: https://arxiv.org/abs/2509.21624

Available checkpoints

hip_v3: Recommended. Trained end-to-end
hip_v2: Used for the paper. Trained end-to-end
hesspred_v1: Used for the paper. Finetuned from HORM EquiformerV2 to predict Hessians

Use our model

Please have a look at https://github.com/BurgerAndreas/hip

Citation

@misc{burger2025hiphessian,
  title={Shoot from the HIP: Hessian Interatomic Potentials without derivatives}, 
  author={Andreas Burger and Luca Thiede and Nikolaj Rønne and Varinia Bernales and Nandita Vijaykumar and Tejs Vegge and Arghya Bhowmik and Alan Aspuru-Guzik},
  year={2025},
  eprint={2509.21624},
  archivePrefix={arXiv},
  primaryClass={cs.LG},
  url={https://arxiv.org/abs/2509.21624}, 
}