A molecular language model pretrained on structure-property knowledge triples beats several baselines across generation, prediction, and docking benchmarks.
In: 2022 Conference on Empirical Methods in Natural Language Processing, EMNLP 2022 (2022)
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MolMetaLM: a Physicochemical Knowledge-Guided Molecular Meta Language Model
A molecular language model pretrained on structure-property knowledge triples beats several baselines across generation, prediction, and docking benchmarks.