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CH485---Artificial-Intelligence-and-Chemistry wiki!

In this course, CH485 - Artificial Intelligence and Chemistry, students will learn data science for chemical applications. After successfully finishing this course, students will be confident to understand and implement AI models for chemical/molecular applications.

This repository is managed by Seongok Ryu, TA of this course, and lecture notes/example codes about contents treated in the class will be uploaded.

Practice 01 : Introduction / Linear & Logistic Regression Practice 02 : Support Vector Machine (SVM) Practice 03 : Multi-layer perception (MLP), activation functions (sigmoid, tanh, ReLU, ...) Practice 04 : Applications of convolutional neural networks (CNN) on SMILES to learning molecular properties Practice 05 :