Publications

591 results for Accelerated Discovery

Fine-tuning of Geospatial Foundation Models for Aboveground Biomass Estimation
- - Michal Muszynski
  - Levente Klein
  - et al.
- 2024
- KDD 2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 2024
- arXiv
Surface reaction calculations with quantum computers for battery materials
- 2024
- ACS Fall 2024
Docling Technical Report
- - Christoph Auer
  - Maxim Lysak
  - et al.
- 2024
- arXiv
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- - Eduardo Almeida Soares
  - Victor Shirasuna
  - et al.
- 2024
- ACS Fall 2024
Harnessing negative data for enhancing model learning in chemistry
- - Alessandra Toniato
  - Mara Graziani
  - et al.
- 2024
- ACS Fall 2024
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2024
- ACS Fall 2024
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- - Oliver Schilter
  - Daniel Pacheco Gutierrez
  - et al.
- 2024
- ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- - Joseph Morrone
  - Diwakar Mahajan
  - et al.
- 2024
- ACS Fall 2024
Lifecycle materials design tool
- - Brandi Ransom
  - Benjamin Wunsch
  - et al.
- 2024
- ACS Fall 2024