conftrace_

molecular generation

110 papers

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Co-occurring keywords · papers mentioning both

diffusion model (28) drug discovery (24) drug design (21) graph neural network (21) generative model (16) reinforcement learning (11) variational autoencoder (9) graph generation (8) equivariant neural network (7) generative flow network (6)

Papers

Barking up the right tree: an approach to search over molecule synthesis DAGs NeurIPS 2020 CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models NeurIPS 2020 CORE: Automatic Molecule Optimization Using Copy & Refine Strategy AAAI 2020 Deterministic Decoding for Discrete Data in Variational Autoencoders AISTATS 2020 Guiding Deep Molecular Optimization with Genetic Exploration NeurIPS 2020 Learning to Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning ICML 2020 Reinforced Molecular Optimization with Neighborhood-Controlled Grammars NeurIPS 2020 Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules NeurIPS 2019 Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation NeurIPS 2018 Junction Tree Variational Autoencoder for Molecular Graph Generation ICML 2018