From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction
Date:
This talk introduces Joint Multi-Domain Pre-training (JMP), a robust supervised pre-training approach which simultaneously trains on data from multiple chemical domains. JMP demonstrates state-of-the-art results on key small molecule, large molecule, and materials datasets and offers insights into the influence of pre-training strategies on fine-tuning.
Slides: https://nima.sh/jmp-sesai