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Notes on ai in drug design
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Do Language Models Dream of Binding Molecules? Benchmarking LLMs under Spatial Constraints
In the study titled 'Do Language Models Dream of Binding Molecules? Benchmarking LLMs under Spatial Constraints', the authors examine the ability of large language models (LLMs) to navigate complex 3D spatial…
DrugGen 2: A disease-aware language model for enhancing drug discovery
DrugGen 2 is a new model that generates small molecules for drug design by considering both disease ontology and target protein sequences. It was developed by fine-tuning a pre-trained GPT-2 model and outperformed…
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