MoleculeNet Part 1: Datasets for Deep Learning in the Chemical and Life Sciences

Image and speech recognition seem like gargantuan tasks, but they are really pretty simple compared to the kinds of problems we see in physics, chemistry, and biology. That’s why it’s comparatively rare to see anyone claim that a problem in physical or life science has been “solved” by machine learning. Better datasets, dataset generating methods, and robust benchmarks are essential ingredients to progress in molecular machine learning, maybe even more so than inventing new deep learning tricks or architectures. In many subfields of deep learning, the standard avenue of progress goes something like <a href="https://towardsdatascience.com/moleculenet-part-1-datasets-for-deep-learning-in-the-chemical-and-life-sciences-b86960d1ee22">Click Here</a>