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cs.LG2024
3D Interaction Geometric Pre-training for Molecular Relational Learning
Namkyeong Lee, Yunhak Oh, Heewoong Noh +5
Molecular Relational Learning (MRL) is a rapidly growing field that focuses on understanding the interaction dynamics between molecules, which is crucial for applications ranging f…
cs.LG2024
Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge
Heewoong Noh, Namkyeong Lee, Gyoung S. Na +1
While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to o…