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Reference pKa calculations for the SAMPL6 pKa challenge
Transfer learning / domain adaptation / domain generalization / multi-task learning etc. Papers, codes, datasets, applications, tutorials.-迁移学习
document classification using LSTM + self attention
深度学习与PyTorch入门实战视频教程 配套源代码和PPT
An attempt to use principal component analysis for reaction scoring.
Pytorch Implementation for Graph Convolutional Neural Networks
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Learn how to design, develop, deploy and iterate on production-grade ML applications.