← authors · overview

• Retrosynthetic reaction prediction using neural sequence-to-sequence models
  2017 · 590 citations
• ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction
  2020 · 408 citations
• ChemBERTa-2: Towards Chemical Foundation Models
  2022 · 150 citations
• Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity
  2017 · 98 citations
• MoleculeNet: A Benchmark for Molecular Machine Learning
  2017 · 50 citations
• Low Data Drug Discovery with One-shot Learning
  2016 · 16 citations
• FastFlows: Flow-Based Models for Molecular Graph Generation
  2022 · 16 citations
• Score-Based Generative Models for Molecule Generation
  2022 · 7 citations
• AutoMat: Accelerated Computational Electrochemical systems Discovery