General-purpose LLMs can satisfy simple local 3D constraints such as anchor fragments and pharmacophores, but their unoptimized poses dock much worse than those from specialized diffusion models.
hub
Meireles, and Ivet Bahar
1 Pith paper cite this work, alongside 1,185 external citations. Polarity classification is still indexing.
1
Pith paper citing it
1,185
external citations · OpenAlex
hub tools
fields
cs.LG 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Do Language Models Dream of Binding Molecules? Benchmarking LLMs under Spatial Constraints
General-purpose LLMs can satisfy simple local 3D constraints such as anchor fragments and pharmacophores, but their unoptimized poses dock much worse than those from specialized diffusion models.