GP-MoLFormer: a foundation model for molecular generation
- Jerret Ross
- Brian Belgodere
- et al.
- 2025
- Digital Discovery
Paper
Publications
16 results at Digital Discovery
Setting new benchmarks in AI-driven infrared structure elucidation
- Marvin Alberts
- Federico Zipoli
- et al.
- 2025
- Digital Discovery
PaperReprogramming pretrained language models for protein sequence representation learning
- Ria Vinod
- Pin-Yu Chen
- et al.
- 2025
- Digital Discovery
PaperImproving structural plausibility in diffusion-based 3D molecule generation via property-conditioned training with distorted molecules
- Lucy Vost
- Vijil Chenthamarakshan
- et al.
- 2025
- Digital Discovery
PaperChemical space analysis and property prediction for carbon capture solvent molecules
- James L. McDonagh
- Stamatia Zavitsanou
- et al.
- 2024
- Digital Discovery
PaperChemical Space Analysis and Property Prediction for Carbon Capture Amine molecules
- James Mcdonagh
- Stamatia Zavitsanou
- et al.
- 2024
- Digital Discovery
PaperDiscovery of novel reticular materials for carbon dioxide capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2024
- Digital Discovery
PaperActivity recognition in scientific experimentation using multimodal visual encoding
- Gianmarco Gabrieli
- Irina Espejo Morales
- et al.
- 2024
- Digital Discovery
PaperInsights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)
- Maximilian P. Niroomand
- Luke Dicks
- et al.
- 2024
- Digital Discovery
ReviewUnderstanding and improving zeroth-order optimization methods on AI-driven molecule optimization
- Elvin Lo
- Pin-Yu Chen
- 2023
- Digital Discovery
Paper