Computational Drug Discovery Part 4: Generative Models for De Novo Drug Design (Miniseries)

Understand how different generative models work for de novo drug design, ranging from VAE, GAN, Diffusion, and Autoregressive architectures.

Computational Drug Discovery Part 5 (Subpart 2/3): Generative Models for De Novo Drug Design - Diffusion Models

From prediction to creation (Subpart 2/3): Understanding diffusion models for molecular generation, with detailed implementation of torsional diffusion for 3D conformation generation.

Computational Drug Discovery Part 5 (Part 3/3): Generative Models for De Novo Drug Design - Transformers

From prediction to creation (Part 3/3): : how AI generates novel drug molecules optimized for multiple objectives using autoregressive transformer architectures.

Computational Drug Discovery Part 5 (Subpart 1/3): Generative Models for De Novo Drug Design - VAE and GAN

From prediction to creation (Subpart 1/3): A quick intro to how AI generates novel drug molecules optimized for multiple objectives using VAE and GAN model architectures.