Pinned Loading

1. MGCVAE MGCVAE Public

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

   Jupyter Notebook 34 10

2. AmorProt AmorProt Public

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

   Python 8 1

3. Matini-Net Matini-Net Public

   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)

   Python 2

4. Biodegradability_Prediction_QSAR_GCN Biodegradability_Prediction_QSAR_GCN Public

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

   Jupyter Notebook 9 3

5. Protein_Aggregation_Prediction Protein_Aggregation_Prediction Public

   Forked from alstjs0528/Aggregation

   Code for "Prediction of Protein Aggregation Propensity via Data-Driven Approaches" (https://doi.org/10.1021/acsbiomaterials.3c01001)

   Jupyter Notebook 1

6. Solubility_Prediction_GCN Solubility_Prediction_GCN Public

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

   Python 5 4