Procedural Synthesis of Synthesizable Molecules.
Proceedings of the Thirteenth International Conference on Learning Representations, 2025
Stiefel Flow Matching for Moment-Constrained Structure Elucidation.
Proceedings of the Thirteenth International Conference on Learning Representations, 2025
Syntax-Guided Procedural Synthesis of Molecules.
CoRR, 2024
Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance.
CoRR, 2023
Recent advances in the Self-Referencing Embedding Strings (SELFIES) library.
CoRR, 2023
If Influence Functions are the Answer, Then What is the Question?
Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022