2 papers
cs.LG2026
Zatom-1: Towards a Multimodal Foundation Model for 3D Molecules and Materials
Alex Morehead, Miruna Cretu, Antonia Panescu +14
General-purpose 3D modeling in chemistry encompasses molecules and materials, requiring both generative and predictive capabilities. However, most existing AI approaches are optimi…
cs.LG2026
Towards A Universal Graph Structural Encoder
Jialin Chen, Haolan Zuo, Haoyu Peter Wang +3
Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and tr…