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 Feb 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 Jan 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 Jan 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 Jan 202254min
