Preprint
Jul 2026
Do Language Models Dream of Binding Molecules? Benchmarking LLMs under Spatial Constraints
A clear pattern is revealed in LLM spatial capabilities: while they still lag behind state-of-the-art approaches, they are promising and can handle multiple spatial constraints simultaneously, enabling scaling to heterogeneous setups.
Thomas MacDougall, Maksim Kuznetsov, Roman Schutski et al.
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