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Mapping Chemical Space with UMAP

Mapping Chemical Space with UMAP

Exploration of Chemical Datasets using UMAP. Detailed analysis of how UMAP embeds a MoleculeNet dataset and practical uses for UMAP at Reverie Labs.
Elana Simon Apr 6, 2021
Training Transformers for Practical Drug Discovery with Tensor2Tensor

Training Transformers for Practical Drug Discovery with Tensor2Tensor

We're releasing a Colab notebook for training Transformer networks on a wide range of drug discovery tasks using Tensor2Tensor.
Gabe Grand Apr 20, 2020
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