Data-Efficient Graph Grammar Learning for Molecular Generation
- Minghao Guo
- Veronika Thost
- et al.
- 2022
- ICLR 2022
Publications
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- Materials Discovery
3431 results for Materials Discovery
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2022
- APS March Meeting 2022
- Topic
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- Yue Cao
- Payel Das
- et al.
- 2021
- ICML 2021
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- Vijil Chenthamarakshan
- Payel Das
- et al.
- 2020
- NeurIPS 2020
Molecular Hypergraph Grammar with Its Application to Molecular Optimization
- Hiroshi Kajino
- 2019
- ICML 2019
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- NeurIPS 2024
First demonstration of high retention energy barriers and 2 ns switching, using magnetic ordered-alloy-based STT MRAM devices
- Matthias Gottwald
- Guohan Hu
- et al.
- 2024
- VLSI Technology and Circuits 2024
Improved Self-supervised Molecular Representation Learning using Persistent Homology
- Yuankai Luo
- Lei Shi
- et al.
- 2023
- NeurIPS 2023
Designing an AI assistant for chemical discovery
- Siya Kunde
- Stephanie Houde
- et al.
- 2023
- ACS Fall 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- ICML 2023