Molecular relaxation by reverse diffusion with time step predictionJan 1, 2024·Khaled Kahouli,Stefaan Simon Pierre Hessmann,Klaus-Robert Müller,Shinichi Nakajima,Stefan Gugler,Niklas Wolf Andreas Gebauer· 0 min read Cite DOITypeJournal articlePublicationMachine Learning: Science and Technology, 5, 035038Last updated on Jan 1, 2024 ← Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships between Features Jan 1, 2025qcscine/puffin: Release 1.2. 0 Jan 1, 2023 →