Improving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- Ronaldo Giro
- Thiago Reschutzegger
- et al.
- 2025
- ACS Fall 2025
Publications
31 results for Flaviu Cipcigan
Heterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025
An Open Multi-Modal Foundation Model for Materials and Chemistry
- 2024
- MRS Fall Meeting 2024
NLPeople at L+M-24 Shared Task: An Ensembled Approach for Molecule Captioning from SMILES
- 2024
- ACL 2024
Are we fitting data or noise? Analysing the predictive power of commonly used datasets in drug-, materials-, and molecular- discovery.
- Daniel Crusius
- Flaviu Cipcigan
- et al.
- 2024
- Faraday Discussions
MatGFN-PFAS: An AI-driven approach for toxic PFAS replacement
- Eduardo Almeida Soares
- Flaviu Cipcigan
- et al.
- 2024
- ACS Spring 2024
Chemical Space Analysis and Property Prediction for Carbon Capture Amine molecules
- James Mcdonagh
- Stamatia Zavitsanou
- et al.
- 2024
- Digital Discovery
Chemical space analysis and property prediction for carbon capture solvent molecules
- James L. McDonagh
- Stamatia Zavitsanou
- et al.
- 2024
- Digital Discovery
Discovery of novel reticular materials for carbon dioxide capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2024
- Digital Discovery
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023