Physics-Informed Pre-training on Efficient Electron-Density Images for Organic Material Property Prediction
Zhixiang Cheng · Hongxin Xiang · Mingquan Liu · Tengfei Ma · Yingzhuo Tu · Wenjie Du · Bosheng Song · Yiping Liu · xiangxiang Zeng
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Zhixiang Cheng · Hongxin Xiang · Mingquan Liu · Tengfei Ma · Yingzhuo Tu · Wenjie Du · Bosheng Song · Yiping Liu · xiangxiang Zeng
Pei Liu · xiangxiang Zeng · Tengfei Ma · Yucheng Xing · Xuanbai Ren · Yiping Liu
Xuanbai Ren · Luoda Tan · Pei Liu · Tengfei Ma · Xiangzheng Fu · Longyue Wang · Yiping Liu · xiangxiang Zeng
Transfer learning has demonstrated efficacy in single-property constraint molecular generation. However, real-world drug discovery demands molecules to satisfy multiple property constraints. Existing paradigms often struggle with this challenge due to catastrophic forgetting or gradient conflicts...
Yujie Chen · Tengfei Ma · Zhou Yu · Jiayi Zhang · Ajie Lin · shu wu · Dongsheng Cao · Yiping Liu
Yujie Chen · Tengfei Ma · Yuansheng Liu · Leyi Wei · shu wu · Dongsheng Cao · Yiping Liu · xiangxiang Zeng
Youneng Bao · Yulong Cheng · Yiping Liu · Yichen Yang · Peng Qin · Mu Li · Yongsheng Liang