EulerFold
Bioinformatics & ML Researchers

Graph Neural Networks for Drug Discovery

4 weeks
0 Learners
Jul 23

GNNs on molecular graphs are how modern pharma screens billions of compounds. This comprehensive curriculum is designed to give you hands-on experience with Graph Neural Networks for Drug Discovery.

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About this Course

GNNs on molecular graphs are how modern pharma screens billions of compounds. This comprehensive curriculum is designed to give you hands-on experience with Graph Neural Networks for Drug Discovery. This Bioinformatics & ML Researchers curriculum is designed to give you hands-on experience and deep conceptual understanding. Across 4 intensive modules, you'll tackle real-world challenges and build practical projects that reinforce your learning. By the end of this journey, you'll have the skills and proof of work to demonstrate your expertise.

What you'll learn

Master the core concepts of molecular graph representations & rdkit.
Gain hands-on experience with message passing neural networks (mpnn).
Understand the architecture behind 3d molecular conformations & equivariant gnns.
Implement production-grade virtual screening pipeline & generative design.

Prerequisites

intermediate Level

Requires basic familiarity with the tech stack.

  • TCP/UDP fundamentals
  • Socket programming basics

Ideal for

Bioinformatics & ML Researchers

Bioinformatics & ML Researchers Professionals
Tech Enthusiasts
W1

Molecular Graph Representations & RDKit

Master the core concepts of molecular graph representations & rdkit.

3 videos67m
3 readings
3 topics
1 homework
Learn

Topics

1.1
SMILES Parsing & Atom Features
17 minutes
1.2
Adjacency Matrix & Graph Construction
31 minutes
1.3
Molecular Featurization Pipelines
19 minutes
W2

Message Passing Neural Networks (MPNN)

Gain hands-on experience with message passing neural networks (mpnn).

3 videos124m
3 readings
3 topics
1 homework
Learn
W3

3D Molecular Conformations & Equivariant GNNs

Understand the architecture behind 3d molecular conformations & equivariant gnns.

3 videos65m
3 readings
3 topics
1 homework
Learn
W4

Virtual Screening Pipeline & Generative Design

Implement production-grade virtual screening pipeline & generative design.

3 videos101m
3 readings
3 topics
1 homework
Learn
01

Learn

Watch curated videos and read study resources

02

Practice

Practice what you learned

03

Build Projects

Build projects using your new gained knowledge

04

Submit & Verify

Submit your project and get verified by our system

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