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cs.LG2025
Joint Embedding Predictive Architecture for self-supervised pretraining on polymer molecular graphs
Francesco Piccoli, Gabriel Vogel, Jana M. Weber
Recent advances in machine learning (ML) have shown promise in accelerating the discovery of polymers with desired properties by aiding in tasks such as virtual screening via prope…
cs.LG2024★ 5 cited
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…