Code for "Matini-Net: Versatile Material Informatics Research Framework for Feature Engineering and Deep Neural Network Design" (https://doi.org/10.1021/acs.jcim.4c01676)

Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jcim.2c00487)

Code for "AmorProt: Amino Acid Molecular Fingerprints Repurposing-based Protein Fingerprint" (https://doi.org/10.1021/acs.biochem.3c00253)

Code for "A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network" (https://…

Code for "Evaluation of principal features for predicting bulk and shear modulus of inorganic solids with machine learning" (https://doi.org/10.1016/j.mtcomm.2022.104208)

Code for "Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks" (https://doi.org/10.1021/acsomega.2c00697)

Multi-class Multi-label Enzyme Function Classification Using Graph Convolutional Network