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Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study | Journal of Cheminformatics | Full Text
Inverse molecular design using machine learning: Generative models for matter engineering | Science
Mol-CycleGAN: a generative model for molecular optimization | Journal of Cheminformatics | Full Text
Shao-Hua Sun on Twitter: "I implemented a novel generative model Generative Latent Optimization (GLO) in @tensorflow proposed by FAIR https://t.co/L51P8BWbHW https://t.co/J0rFRMl0xU" / Twitter
PDF] Optimizing distributions over molecular space. An Objective-Reinforced Generative Adversarial Network for Inverse-design Chemistry (ORGANIC) | Semantic Scholar
Methods for Optimization and Regularization of Generative Models - UCL Discovery
Article: Deep generative models for ligand-based de novo design applied to multi-parametric optimization - Iktos
Learning to Learn with Generative Models of Neural Network Checkpoints", Peebles et al. 2022 ('G.pt' diffusion model outperforms gradient-based optimization for single-step NN weight updates; includes scaling study) : r/mlscaling
Predictive and generative machine learning models for photonic crystals
PDF] Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining | Semantic Scholar
Generative Models
Optimizing generative models of bacterial, fungal, and plant... | Download Scientific Diagram
Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES - Chemical Science (RSC Publishing)
Deep Generative Design: Integration of Topology Optimization and Generative Models
PDF] Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19 | Semantic Scholar
1. Generative Modeling - Generative Deep Learning [Book]
Optimizing generative models of bacterial, fungal, and plant... | Download Scientific Diagram
Generative Deep Learning for Targeted Compound Design | Journal of Chemical Information and Modeling
Generative Models Thus far we have essentially considered techniques that perform classification indirectly by modeling the training data, optimizing. - ppt video online download
An illustration of different generative models discussed in the paper:... | Download High-Quality Scientific Diagram
Generative Deep Learning for Targeted Compound Design | Journal of Chemical Information and Modeling
OptiMol: Optimization of Binding Affinities in Chemical Space for Drug Discovery | Journal of Chemical Information and Modeling
Microsoft Research Unveils Three Efforts to Advance Deep Generative Models - KDnuggets
Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining
A deep generative model for molecule optimization via one fragment modification | Nature Machine Intelligence
A fascinating approach to deep generative design | by Dickson Wu | UX Collective
Graph-based generative models for de Novo drug design - ScienceDirect