Electron-density-informed effective and reliable de novo molecular design and optimization with ED2Mol

Mingyu Li, Kun Song, Jixiao He, Mingzhu Zhao, Gengshu You, Jie Zhong, Mengxi Zhao, Arong Li, Yu Chen, Guobin Li, Ying Kong, Jiacheng Wei, Zhaofu Wang, Jiamin Zhou, Hongbing Yang, Shichao Ma, Hailong Zhang, Irakoze Loïca Mélita, Weidong Lin, Yuhang Lu, Zhengtian Yu, Xun Lu, Yu‐Jun Zhao, Jian Zhang