Chroma is a generative model that creates new protein molecules based on geometric and functional programming instructions. Chroma learns pattern

Generate Biomedicines | Chroma

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2022-12-03 19:30:30

Chroma is a generative model that creates new protein molecules based on geometric and functional programming instructions.

Chroma learns patterns in the three-dimensional structures and amino acid sequences of proteins and protein complexes from the Protein Data Bank. By learning these patterns in a way that generalizes across natural proteins, Chroma can synthesize new protein molecules that adhere to these principles while combining them in novel ways. Importantly, Chroma can be conditioned on a set of desired structural or functional properties, such as the presence of functional structural motifs, symmetry constraints, adhering to a pre-specified shape, belonging to a domain or functional class, or even satisfying text-based descriptions. We think that systems such as Chroma will enable a new, programmable mode of protein engineering where it is routine and feasible to generate specific and tailored protein solutions to complex challenges for bioengineering and human health.

The Chroma system is built on several new machine learning components, including a new neural network architecture for processing and manipulating 3 D molecular information, a new diffusion process for adding noise to structures while adhering to the biophysical constraints of protein chains, and a new generalized method for generating high-quality samples from diffusion models. As a result of these innovations, Chroma is able to generate extremely large proteins and protein complexes (e.g. 30 ,000 + heavy atoms across 4 ,000 + residues) in a few minutes on a single commodity GPU .