Publications

35 results for Kristin Schmidt

AccFG: Accurate Functional Group Extraction and Molecular Structure Comparison
- - Xuan Liu
  - Sarathkrishna Swaminathan
  - et al.
- 2025
- J. Chem. Inf. Model.
An open-source family of large encoder-decoder foundation models for chemistry
- - Eduardo Soares
  - Emilio Vital Brazil
  - et al.
- 2025
- Communications Chemistry
A Mamba-Based Foundation Model for Materials
- 2025
- NPJ AI
SMI-TED: A large-scale foundation model for materials and chemistry
- 2025
- ICLR 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
ChemChat | Democratizing Access to Domain-Specific AI/ML through LLM-powered Conversa-tional Assistants
- - Tim Erdmann
  - Stefan Zecevic
  - et al.
- 2025
- ACS Spring 2025
Causality-driven feature selection and domain adaptation for enhancing chemical foundation models in downstream tasks
- - Eduardo Soares
  - Victor Yukio Shirasuna
  - et al.
- 2025
- Machine Learning Science and Technology
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- - Victor Shirasuna
  - Eduardo Almeida Soares
  - et al.
- 2024
- NeurIPS 2024
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