Valence Labs Courses

Crippen's logP as a Quantitative Molecular Benchmark for Explainable AI Heatmaps

Explore Crippen's logP as a quantitative benchmark for explainable AI heatmaps in molecular modeling. Learn about atomic attribution methods and their applications in chemical property prediction.

• YouTube
• 54 minutes
• On-Demand
• Free Video

DiGress: Discrete Denoising Diffusion for Graph Generation

Explore DiGress, a discrete denoising diffusion model for graph generation with categorical attributes. Learn about its innovative approach, challenges, and state-of-the-art performance in molecular and non-molecular datasets.

• YouTube
• 1 hour 25 minutes
• On-Demand
• Free Video

Pre-trained Ensembles for Bayesian Optimization of Protein Sequences

Explore pre-trained ensembles for Bayesian optimization of protein sequences, enabling accurate predictions with minimal data and guiding iterative design for novel peptide inhibitors.

• YouTube
• 49 minutes
• On-Demand
• Free Video

Unsupervised Learning of Group Invariant and Equivariant Representations

Explore unsupervised learning of group invariant and equivariant representations. Gain insights into symmetry in data, practical examples, and results for graphs and various symmetries.

• YouTube
• 1 hour 32 minutes
• On-Demand
• Free Video

Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations

Explore score-based generative modeling for graphs using stochastic differential equations. Learn about graph diffusion, forward and reverse processes, and applications in molecule generation.

• YouTube
• 1 hour 7 minutes
• On-Demand
• Free Video

Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent

Explore equivariant energy-based models and Stein variational gradient descent for efficient sampling and learning of symmetric probability densities. Apply to regression, classification, and molecular design.

• YouTube
• 53 minutes
• On-Demand
• Free Video

Diffusion Probabilistic Modeling of Protein Backbones in 3D for Motif-Scaffolding

Explore diffusion probabilistic modeling for protein backbone design, focusing on motif-scaffolding applications. Learn about SMCDiff algorithm, E(3)-equivariant graph neural networks, and diverse scaffold generation.

• YouTube
• 1 hour 3 minutes
• On-Demand
• Free Video

MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

Explore higher-order equivariant message passing neural networks for fast, accurate force fields in computational chemistry. Learn about MACE's innovative approach using four-body messages to enhance efficiency and accuracy.

• YouTube
• 1 hour 23 minutes
• On-Demand
• Free Video

Introducing Bioptic - Machine Learning for Drug Discovery

Explore Bioptic's architecture, training, and scaling for machine learning in drug discovery with Vlad Vinograv.

• YouTube
• 14 minutes
• On-Demand
• Free Video

Molecular Machine Learning Conference 2023 - Opening Remarks

Explore opening remarks from Yoshua Bengio and Dominique Beaini at MoML 2023, covering conference highlights, tributes, and the future of molecular machine learning.

• YouTube
• 13 minutes
• On-Demand
• Free Video

Machine Learning in Structure-Based Drug Discovery - Day 2

Explore machine learning applications in structure-based drug discovery, focusing on innovative techniques and their impact on pharmaceutical research.

• YouTube
• 58 minutes
• On-Demand
• Free Video

Graph Neural Networks for Chemistry - Day 1

Explore Graph Neural Networks for molecular property prediction in drug discovery, covering GNN design, expressivity, attention, and multimodality.

• YouTube
• 46 minutes
• On-Demand
• Free Video

Molecular Representation and Scoring - Day 1

Explore molecular representation and scoring techniques for drug discovery with Emmanuel Noutahi from Valence Labs.

• YouTube
• 1 hour 6 minutes
• On-Demand
• Free Video

Learning Geometry and 3D Symmetries - Day 1

Explore geometry and 3D symmetries in machine learning for drug discovery, covering key concepts like tensor products and network equivalence.

• YouTube
• 45 minutes
• On-Demand
• Free Video

Virtual Screening Explanation - Lab 1

Explore virtual screening techniques for drug discovery with experts Lu Zhu and Cas Wognum in this recorded session from the 2024 ML for Drug Discovery Summer School.

• YouTube
• 26 minutes
• On-Demand
• Free Video