
AI炼金术革新化学:MIT学者使用生成式AI,六秒生成新化学反应
Kulik教授也感慨道「之前我们很难想象在一念之间就能生成数千个过渡态」。C. Duan*, Y. Du, H. Jia, and H. J. Kulik, “Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model”, Nat. Comput. Sci., ASAP, https://www.nature.com/articles/s43588-023...