Publications

(2024). Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships between Features. Available at SSRN 4927687.
(2024). Molecular relaxation by reverse diffusion with time step prediction. arXiv preprint arXiv:2404.10935.
(2023). SCINE READUCT 5.1.0.
(2023). SCINE READUCT 5.1. 0.
(2023). qcscine/utilities: Release 7.0.0. CERN.
(2023). qcscine/utilities: Release 7.0. 0. CERN.
(2023). qcscine/readuct: Release 5.0.0. Zenodo.
(2023). qcscine/puffin: Release 1.2.0. Zenodo.
(2023). qcscine/puffin: Release 1.2. 0. Zenodo.
(2022). SCINE READUCT 4.1. 0.