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MGCVAE
Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jcim.2c00487)Biodegradability_Prediction_QSAR_GCN
Code for "A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network" (https://doi.org/10.1021/acsomega.1c06274)AmorProt
Code for "AmorProt: Amino Acid Molecular Fingerprints Repurposing-based Protein Fingerprint" (https://doi.org/10.1021/acs.biochem.3c00253)Solubility_Prediction_GCN
Code for "Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks" (https://doi.org/10.1021/acsomega.2c00697)QSAR_Machine_Learning_Pipeline
Chemical_Space_Analysis
EC_Number_Prediction_GCN
Multi-class Multi-label Enzyme Function Classification Using Graph Convolutional NetworkCOVID-19_Mpro_BFE_Prediction_GCN
Protein_Protein_Interaction_Prediction_GCN
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