Repository for CHBE 413/594 and CHEM 452/590 Chemical Data Science and Engineering (CDS) Course Final Projects for Fall 2024
| Group | Members | Topic |
|---|---|---|
| 1 | Ryan Berwick, David Harris, William Howe, Varun Jagannath | Neuraminidase Protein Classification Using Bayesian Neural Networks |
| 2 | Adrija Dutta, Jingdan Chen, Eliza Asani, Huihang Qiu | From Invariance to Equivariance: Predicting Quantum Chemical Properties using Graph Neural Networks |
| 3 | Masi Dashtban, Romans Grant, Bowen Hao, Shuohao Wang | Interpretable Machine Learning for solubility prediction using SHAP and LIME Analysis |
| 4 | Sumana Dara, Junyuan Miao, Chantal Korde, Damien Soubassis | Variational Autoencoders, focusing on the newer VAE applications Graph VAE and Junction Tree VAE |
| 5 | Huamin Gao, Albert Yan, Shijie Sun, Jenny Hu | Medical Images Segmentation Using U-Net Variants |
| 6 | Gloria Wang, Neil Tran, Jinyu Xu, Akshit Khatri | Generating Drug Molecules with Conditional Variational Autoencoders |
| 7 | Qi Wu, Zoe Zhang, Yilun Li | A Data-Driven Approach to Asymmetric Hydrogenation of Alkenes |
| 8 | Michelle Ru, Staci Strader, Vrithik Umapathy, John Lopez | Dimensionality Reduction in Machine Learning |
| 9 | Omkar Chaudhari, Akshay Gurumoorthi, Rishabh Puri, Matthew Too | Property-Driven Molecule Generation using Conditional Normalizing Flows |