Unassisted noise reduction of chemical reaction datasets
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2021
- Nature Machine Intelligence
Paper
Publications
3553 results for Materials Discovery
Small Data Enabled Prediction and Verification of Potential Polymer Membranes for CO2 Separation
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2021
- APS March Meeting 2021
TalkAutomated in silico optimisation of nanoporous material morphology for enhanced carbon dioxide adsorption
- Rodrigo Ferreira
- Fausto Martelli
- et al.
- 2021
- APS March Meeting 2021
TalkSimulating fluid flow with carbon dioxide in digital rock
- Mathias Steiner
- Rodrigo Ferreira
- et al.
- 2021
- APS March Meeting 2021
TalkAccelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
- Payel Das
- Tom Sercu
- et al.
- 2021
- Nature Biomedical Engineering
PaperRobust PDF Document Conversion Using Recurrent Neural Networks
- Nikolaos Livathinos
- Cesar Berrospi
- et al.
- 2021
- IAAI 2021
PosterMapping the space of chemical reactions using attention-based neural networks
- Philippe Schwaller
- Daniel Probst
- et al.
- 2021
- Nature Machine Intelligence
PaperNeural machine translation for conditional generation of novel procedures
- Joppe Geluykens
- Sandra Mitrovic
- et al.
- 2021
- HICSS 2021
Conference paperDesign of AI-Enhanced Drug Lead Optimization Workflow for HPC and Cloud
- Chih-Chieh Yang
- Giacomo Domeniconi
- et al.
- 2020
- Big Data 2020
Conference paperCogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- Vijil Chenthamarakshan
- Payel Das
- et al.
- 2020
- NeurIPS 2020
Conference paper