Retrieval-based Controllable Molecule Generation

Retrieval-based Controllable Molecule Generation

23 August 2022

Richard Baraniuk

Anima Anandkumar

Papers citing "Retrieval-based Controllable Molecule Generation"

16 / 16 papers shown

Title
RANGE: Retrieval Augmented Neural Fields for Multi-Resolution Geo-Embeddings A. Dhakal S. Sastry Subash Khanal Adeel Ahmad Eric Xing Nathan Jacobs 48 0 0 27 Feb 2025
ReasonFlux: Hierarchical LLM Reasoning via Scaling Thought Templates L. Yang Zhaochen Yu Bin Cui Mengdi Wang ReLM LRM AI4CE 96 10 0 10 Feb 2025
Small Molecule Optimization with Large Language Models Philipp Guevorguian Menua Bedrosian Tigran Fahradyan Gayane Chilingaryan Hrant Khachatrian Armen Aghajanyan 27 1 0 26 Jul 2024
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation Clément Vignac Nagham Osman Laura Toni P. Frossard DiffM 35 50 0 17 Feb 2023
Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing Shengchao Liu Weili Nie Chengpeng Wang Jiarui Lu Zhuoran Qiao Ling Liu Jian Tang Chaowei Xiao Anima Anandkumar 21 150 0 21 Dec 2022
Computer-Aided Multi-Objective Optimization in Small Molecule Discovery Jenna C. Fromer Connor W. Coley 19 66 0 13 Oct 2022
Re-Imagen: Retrieval-Augmented Text-to-Image Generator Wenhu Chen Hexiang Hu Chitwan Saharia William W. Cohen VLM 117 161 0 29 Sep 2022
Relational Memory Augmented Language Models Qi Liu Dani Yogatama Phil Blunsom KELM RALM 61 32 0 24 Jan 2022
Instance-Conditioned GAN Arantxa Casanova Marlene Careil Jakob Verbeek M. Drozdzal Adriana Romero Soriano GAN 199 132 0 10 Sep 2021
Constrained Language Models Yield Few-Shot Semantic Parsers Richard Shin C. H. Lin Sam Thomson Charles C. Chen Subhro Roy Emmanouil Antonios Platanios Adam Pauls Dan Klein J. Eisner Benjamin Van Durme 290 198 0 18 Apr 2021
What Makes Good In-Context Examples for GPT- $3$ ? Jiachang Liu Dinghan Shen Yizhe Zhang Bill Dolan Lawrence Carin Weizhu Chen AAML RALM 275 1,312 0 17 Jan 2021
A deep-learning view of chemical space designed to facilitate drug discovery P. Maragakis Hunter M. Nisonoff B. Cole D. Shaw 26 28 0 07 Feb 2020
Megatron-LM: Training Multi-Billion Parameter Language Models Using Model Parallelism M. Shoeybi M. Patwary Raul Puri P. LeGresley Jared Casper Bryan Catanzaro MoE 243 1,817 0 17 Sep 2019
Retrieval-Based Neural Code Generation Shirley Anugrah Hayati R. Olivier Pravalika Avvaru Pengcheng Yin A. Tomasic Graham Neubig 129 110 0 29 Aug 2018
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 189 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,332 0 12 Feb 2018