HuggingMolecules: An Open-Source Library for Transformer-Based Molecular Property Prediction (Student Abstract)

Large-scale transformer-based methods are gaining popularity as a tool for predicting the properties of chemical compounds, which is central importance to drug discovery process. To accelerate their development and dissemination among community, we releasing HuggingMolecules -- an open-source library, with simple unified API, that provides implementation several state-of-the-art transformers molecular property prediction. In addition, add comparison these on regression classification datasets. package available at: github.com/gmum/huggingmolecules.