Publications

620 results for Accelerated Discovery

Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
- - Gang Liu
  - Michael Sun
  - et al.
- 2025
- ICLR 2025
Conference paper
Procedural Synthesis of Synthesizable Molecules
- - Michael Sun
  - Alston Lo
  - et al.
- 2025
- ICLR 2025
Conference paper
A new framework for evaluating model out-of-distribution generalisation for the biochemical domain
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2025
- ICLR 2025
Conference paper
Earth Observation Foundation Models for Region-Specific Flood Segmentation
- - Helen Tamura-Wicks
  - Geoffrey Dawson
  - et al.
- 2025
- ICLR 2025
Workshop paper
Unifying Materials Representations through Foundation Models: The FM4M Approach
- - Indra Priyadarsini S
- 2025
- ICLR 2025
Workshop paper
SMI-TED: A large-scale foundation model for materials and chemistry
- - Eduardo Almeida Soares
  - Emilio Ashton Vital Brazil
  - et al.
- 2025
- ICLR 2025
Workshop paper
Dynamic Fusion for a Multimodal Foundation Model for Materials
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ICLR 2025
Workshop paper
Large Language Models and Foundation Models for Materials Science
- - Jason Hattrick - Simpers
  - Indra Priyadarsini S
  - et al.
- 2025
- MRS Spring 2025
Tutorial
Molecular Modelling in Bioactive Peptide Discovery and Characterisation
- - Clement Agoni
  - Raúl Fernández Díaz
  - et al.
- 2025
- Molecules
Review
A new framework for evaluating machine learning in biochemistry and its application for small molecules and peptides
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2025
- IRB-AI-DD 2025
Poster