Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
- Lucy Vost
- Vijil Vijil
- et al.
- 2024
- NeurIPS 2024
Publications
Date
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- Materials Discovery
3482 results for Materials Discovery
A Large Encoder-Decoder Polymer-Based Foundation Model
- 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
- 2024
- MRS Fall Meeting 2024
The Evolving Role of Computation and AI in Catalyst Discovery
- 2024
- MRS Fall Meeting 2024
Foundation Models and Multi-Agent Systems for Polymer and Catalyst Design
- Nathaniel Park
- Tiffany Callahan
- et al.
- 2024
- MRS Fall Meeting 2024
Complex Optimization Problem Solving with Low Variability Neuromorphic VO2-Based Oscillators
- Olivier Maher
- Valeria Bragaglia
- 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
ALCHIMIA - Advanced Learning for Chemistry Interpretation and Integrated Molecule Analysis
- 2024
- MRS Fall Meeting 2024