A MACHINE LEARNING APPROACH FOR IDENTIFYING DETERMINANTS OF WNT PROTEIN-PROTEIN INTERACTIONS
- Tiffany Callahan
- Kevin Cheng
- et al.
- 2025
- BPS 2025
Publications
3493 results for Materials Discovery
Parameter Identification for Constitutive Models via Tree-Structured Parzen Estimator
- Supattra Singnisai
- Wachirawit Ponghiran
- 2025
- ICMT 2025
Improving electrolyte performance for target cathode loading using an interpretable data-driven approach
- Vidushi Sharma
- Andy Tek
- et al.
- 2024
- Cell Reports Physical Science
On the increase of the melting temperature of water confined in one-dimensional nano-cavities
- Flaviano Della Pia
- Andrea Zen
- et al.
- 2024
- Journal of Chemical Physics
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- NeurIPS 2024
A Large Encoder-Decoder Polymer-Based Foundation Model
- 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 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
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
- Lucy Vost
- Vijil Vijil
- et al.
- 2024
- NeurIPS 2024