Screen high entropy alloys(HEA) as electrocatalyst for ORR, by using regression model to predict the *OH absorbation energy.And feature engineering is also used to data augment.

MatNexus is an end-to-end software for the automated collection and analysis of scientific articles' text, streamlining literature retrieval and offering powerful visualization and machine learning capabilities for material science research.Scientific literature processing for Materials Science

Python and Shell scripts related to the plots on the manuscript- Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt-Based Electrocatalysts"