Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction

1 code implementation • 30 Aug 2023 • Hongshuo Huang, Rishikesh Magar, Changwen Xu, Amir Barati Farimani

We extend this paradigm by utilizing LLMs for material property prediction by introducing our model Materials Informatics Transformer (MatInFormer).

Language Modelling Property Prediction

Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials

1 code implementation • 3 Mar 2023 • Yuyang Wang, Changwen Xu, Zijie Li, Amir Barati Farimani

These results highlight the potential for leveraging denoise pretraining approaches to build more generalizable neural potentials for complex molecular systems.

TransPolymer: a Transformer-based language model for polymer property predictions

1 code implementation • 3 Sep 2022 • Changwen Xu, Yuyang Wang, Amir Barati Farimani

Rigorous experiments on ten polymer property prediction benchmarks demonstrate the superior performance of TransPolymer.

Language Modelling Masked Language Modeling +2