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).
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.
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.