Publications

3509 results for Materials Discovery

Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations
- - Eduardo Almeida Soares
  - Indra Priyadarsini S
  - et al.
- 2024
- NeurIPS 2024
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- - Viviane T. Silva
  - Alexandre Rademaker
  - et al.
- 2024
- NeurIPS 2024
A Large Encoder-Decoder Polymer-Based Foundation Model
- - Eduardo Almeida Soares
  - Nathaniel Park
  - et al.
- 2024
- NeurIPS 2024
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Unified Lookup Tables: Privacy-Preserving Foundation Models
- - Nikita Janakarajan
  - Irina Espejo Morales
  - et al.
- 2024
- NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- - Victor Shirasuna
  - Eduardo Almeida Soares
  - et al.
- 2024
- NeurIPS 2024
Introduction to machine learning potentials for atomistic simulations
- - Fabian Thiemann
  - Niamh O’neill
  - et al.
- 2024
- Journal of Physics Condensed Matter
Language models can identify enzymatic binding sites in protein sequences
- - Yves Gaetan Nana Teukam
  - Loïc Kwate Dassi
  - et al.
- 2024
- Computational And Structural Biotechnology Journal
Advancing Open-Source AI in Chemistry and Materials—From Foundation Models to Integrated Frameworks to Solve Global Challenges
- - Kristin Schmidt
  - Eduardo Almeida Soares
  - et al.
- 2024
- MRS Fall Meeting 2024
Domain-Specific Knowledge Integration Through Curriculum Learning Method in Machine Learning for Spectral Analysis
- - Hajime Shinohara
  - Akihiro Kishimoto
  - et al.
- 2024
- MRS Fall Meeting 2024