conftrace_

molecule generation

58 papers

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Co-occurring keywords

generative model (2892) diffusion model (3751) drug discovery (119) variational autoencoder (1288) graph neural network (3962) graph generation (109) drug design (28) latent space (854) molecular generation (78) large language model (13587)

Papers

Efficient Generation of Structured Objects with Constrained Adversarial Networks NIPS 2020
Multi-Objective Molecule Generation using Interpretable Substructures ICML 2020
A Deep Generative Model for Fragment-Based Molecule Generation AISTATS 2020
Molecular Hypergraph Grammar with Its Application to Molecular Optimization ICML 2019
A Model to Search for Synthesizable Molecules NIPS 2019
Discrete Object Generation with Reversible Inductive Construction NIPS 2019
Constrained Graph Variational Autoencoders for Molecule Design NIPS 2018
Grammar Variational Autoencoder ICML 2017