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nach0: multimodal natural and chemical languages foundation model. | LitMetric

nach0: multimodal natural and chemical languages foundation model.

Chem Sci

Insilico Medicine Hong Kong Ltd. Unit 310, 3/F, Building 8W, Phase 2, Hong Kong Science Park, Pak Shek Kok New Territories Hong Kong

Published: June 2024

Large Language Models (LLMs) have substantially driven scientific progress in various domains, and many papers have demonstrated their ability to tackle complex problems with creative solutions. Our paper introduces a new foundation model, nach0, capable of solving various chemical and biological tasks: biomedical question answering, named entity recognition, molecular generation, molecular synthesis, attributes prediction, and others. nach0 is a multi-domain and multi-task encoder-decoder LLM pre-trained on unlabeled text from scientific literature, patents, and molecule strings to incorporate a range of chemical and linguistic knowledge. We employed instruction tuning, where specific task-related instructions are utilized to fine-tune nach0 for the final set of tasks. To train nach0 effectively, we leverage the NeMo framework, enabling efficient parallel optimization of both base and large model versions. Extensive experiments demonstrate that our model outperforms state-of-the-art baselines on single-domain and cross-domain tasks. Furthermore, it can generate high-quality outputs in molecular and textual formats, showcasing its effectiveness in multi-domain setups.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151847PMC
http://dx.doi.org/10.1039/d4sc00966eDOI Listing

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