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1. recom_sys_qm9 recom_sys_qm9 Public

   A recommendation system for molecules that combines a Variational Graph Autoencoder (VGAE) and a transformer model to generate candidates and evaluate their properties.

   Jupyter Notebook

2. Chemoinformatics_Explained Chemoinformatics_Explained Public

   Folder for teaching chemoinformatics.

   Jupyter Notebook

3. webstore-app webstore-app Public

   Webstore developed with React, AWS Amplify, S3 bucket, Lambda functions, Cognito, AppSync and Stripe.

   JavaScript 4

4. dockstring dockstring Public

   Forked from alxfgh/BO-De-Novo-Drug-Design-Docking

   "Bayesian Optimized De Novo Drug Design for Selective Kinase Targeting" Project for AC-BO-Hackathon

   Python

5. heatmaps-in-Igor-Pro heatmaps-in-Igor-Pro Public

   Procedure to visualize the density of data points of a 2D histogram.

   IGOR Pro

6. yumidev/Gratreat-App yumidev/Gratreat-App Public

   JavaScript 2