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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery
[article]
2022
arXiv
pre-print
Machine learning has huge potential to revolutionize the field of drug discovery and is attracting increasing attention in recent years. However, lacking domain knowledge (e.g., which tasks to work on), standard benchmarks and data preprocessing pipelines are the main obstacles for machine learning researchers to work in this domain. To facilitate the progress of machine learning for drug discovery, we develop TorchDrug, a powerful and flexible machine learning platform for drug discovery built
arXiv:2202.08320v1
fatcat:jzbsxbhizjgwflwvh2avoyzcai