| Pre-training of Graph Neural Network for Modeling Effects of Mutations on Protein-Protein Binding Affinity | Aug 28, 2020 | Drug DesignGraph Neural Network | —Unverified | 0 |
| Graph-convolution neural network-based flexible docking utilizing coarse-grained distance matrix | Aug 27, 2020 | Drug DesignPrediction | —Unverified | 0 |
| Research and development of MolAICal for drug design via deep learning and classical programming | Jun 17, 2020 | Deep LearningDrug Design | —Unverified | 0 |
| InteractionNet: Modeling and Explaining of Noncovalent Protein-Ligand Interactions with Noncovalent Graph Neural Network and Layer-Wise Relevance Propagation | May 12, 2020 | Drug DesignGraph Neural Network | —Unverified | 0 |
| Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates | May 6, 2020 | Drug Design | —Unverified | 0 |
| Computing Absolute Free Energy with Deep Generative Models | May 1, 2020 | Drug Design | —Unverified | 0 |
| Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learning | Apr 29, 2020 | Deep Reinforcement LearningDrug Design | —Unverified | 0 |
| Recognition of potential Covid-19 drug treatments through the study of existing protein-drug and protein-protein structures: an analysis of kinetically active residues | Apr 21, 2020 | Drug Design | —Unverified | 0 |
| Molecular docking studies on Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection | Apr 17, 2020 | Drug DesignMolecular Docking | —Unverified | 0 |
| Continuous Representation of Molecules Using Graph Variational Autoencoder | Apr 17, 2020 | DecoderDrug Design | —Unverified | 0 |
