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48 积分 2023-08-28 加入
Lie Groups, Lie Algebras, and Representations: An Elementary Introduction
21天前
已关闭
Geometric deep learning on molecular representations
1个月前
已完结
Bridging three-dimensional molecular structures and artificial intelligence with a conformation description language
1个月前
已完结
Improving the predictive performance of binding affinities and poses for protein–cyclic peptide complexes through fine-tuned MM/PBSA(GBSA)-based methods
1个月前
已关闭
In Silicotarget fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion
1个月前
已完结
Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug–drug links based on graph neural network
1个月前
已完结
Hydrogen bonds in aqueous electrolyte solutions: Statistics and dynamics based on both geometric and energetic criteria
3个月前
已完结
Machine learning-aided generative molecular design
9个月前
已完结
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
9个月前
已完结
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