Large language models (LLMs), such as ChatGPT and LLaMA, are creating significant
advancements in natural language processing, due to their strong text encoding/decoding …

There is increasing adoption of artificial intelligence in drug discovery. However, existing
studies use machine learning to mainly utilize the chemical structures of molecules but …

We present $\textbf {MolT5} $$-$ a self-supervised learning framework for pretraining
models on a vast amount of unlabeled natural language text and molecule strings. $\textbf …

Traditional Chinese medicine (TCM) is the key to unlock treasures of Chinese civilization.
TCM and its compound play a beneficial role in medical activities to cure diseases …

Large Language Models (LLMs), with their remarkable task-handling capabilities and
innovative outputs, have catalyzed significant advancements across a spectrum of fields …

Activity and property prediction models are the central workhorses in drug discovery and
materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without …

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …

Molecule discovery plays a crucial role in various scientific fields, advancing the design of
tailored materials and drugs, which contributes to the development of society and human …

Large language models have made significant strides in natural language processing,
enabling innovative applications in molecular science by processing textual representations …

Language Models (LMs) have demonstrated impressive molecule understanding ability on
various 1D text-related tasks. However, they inherently lack 2D graph perception-a critical …