Geometric Machine Learning for Molecular Medicine

Explore geometric machine learning applications in molecular medicine through this conference talk from the 2023 Molecular Machine Learning conference at Mila. Delve into the Therapeutics Data Commons, an open science initiative, and discover large AI models for therapeutic science. Examine the PrimeKG Knowledge Graph dataset and learn about the TxGNN model for predicting therapeutic use. Investigate contextual AI models, including the AWARE model, and review results in autoimmune therapeutic areas and inflammatory bowel diseases. Gain insights from the Q&A session to further understand the intersection of geometric machine learning and molecular medicine.

- Intro
- Therapeutics Data Commons: An Open Science Initiative
- Large AI Models for Therapeutic Science
- Dataset: PrimeKG Knowledge Graph
- TxGNN Model: Predicting Therapeutic Use
- Contextual AI Models
- AWARE: Contextual AI Model
- Results: Autoimmune Therapeutic Area
- Results: Inflammatory Bowel Diseases
- Q+A