chapter eight

8 Generating Protein Structures

 

This chapter covers

  • How to use LLMs to generate protein structures.
  • How to use LLMS to generate crystal structures.
  • How to optimize inference performance of LLMs for chemistry

Chapter 7 was about practical examples of domain-specific Small Language Models for Python code generation and how to optimize them to run on commodity hardware (potentially also on a laptop). This chapter presents other practical and real-world examples of specialized SLMs in the domains of drug R&D and chemistry.

8.1 Application of Transformers in Chemistry

8.2 From natural language to protein structures

8.3 Antibody generation with a small language model

8.4 From CIF files to crystal structures

8.5 Summary