Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks automated analysis of reactio
Materials Project data used in Formula graph self-attention network for representation-domain independent materials discovery by Achintha Ihalage and Yang Hao.
This directory contains sets of molecules used to train chemical language models in the paper, "Learning generative models of molecules from limited training examples." Between 1,000 and 500,000 molec
