Artificial intelligence has not yet revolutionized the design of materials and molecules. In this perspective, we identify four barriers preventing the integration of atomistic deep learning, molecular science, and high-performance computing. We outline focused research efforts to address the opportunities presented by these challenges.

翻译：人工智能尚未使材料和分子的设计发生革命性变化。 从这个角度看,我们确定了阻碍原子深层学习、分子科学和高性能计算融合的四个障碍。 我们概述了重点研究工作,以应对这些挑战带来的机遇。