With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on material design.

翻译：随着各科学领域数据的日益丰富，生成模型在加速科学发现方面展现出巨大潜力。这些模型利用从数据集中习得的强大表征能力，加速新颖假说的构建，有望广泛影响材料发现进程。本文提出科学发现生成工具箱（GT4SD），该可扩展的开源库支持科学家、开发者和研究人员训练并使用最先进的生成模型，以加速聚焦于材料设计的科学发现。