Molecular Modelling and Drug Discovery

Welcome to this space dedicated to the M2D2 Talks co-organized by Valence Discovery and Mila - Quebec AI Institute. From applied research papers to open source projects, we're hoping to use these talks to help demystify AI for drug discovery and make the field more accessible for newcomers. M2D2 will bring our vibrant AI & drug discovery communities together and spark new perspectives, provoke discussions, and offer a safe space to share new ideas. For the best experience, please visit our YouTube channel where slides and video presentations can be referenced.

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Jaksot(60)

Model Agnostic Generation of Counterfactual Explanations for Molecules - Geemi Wellawatte

If you enjoyed this talk, consider joining the Molecular Modeling and Drug Discovery (M2D2) talks live: https://valence-discovery.github.io/M... Abstract: One of the challenges with deep learning is l...

2 Helmi 202256min

Molecular Synthesizability and Synthetic Tree Generation for Molecular Design - Wenhao Gao

If you enjoyed this talk, consider joining the Molecular Modeling and Drug Discovery (M2D2) talks live: https://valence-discovery.github.io/M... Abstract: Molecular design and synthesis planning are t...

29 Tammi 202257min

Challenges of Therapeutics Machine Learning in the Wild - Kexin Huang

If you enjoyed this talk, consider joining the Molecular Modeling and Drug Discovery (M2D2) talks live: https://valence-discovery.github.io/M... Abstract: Machine learning for therapeutics offer in...

22 Tammi 20221h 2min

3D Infomax improves GNNs for Molecular Property Prediction - Hannes Stärk

If you enjoyed this talk, consider joining the Molecular Modeling and Drug Discovery (M2D2) talks live: https://valence-discovery.github.io/M... Abstract: Molecular property prediction is one of th...

19 Tammi 202254min