A data set of 20 million calculated off-equilibrium conformations for organic molecules

HTML5 Drag and Drop file upload plugin for the Grails framework

Literature of deep learning for graphs in Chemistry and Biology

Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series

Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neural Network-based Transfer Learning

Coding articles to level up your development skills

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks