Scientific large language models: A survey on biological & chemical domains
Large Language Models (LLMs) have emerged as a transformative power in enhancing
natural language comprehension, representing a significant stride toward artificial general …
natural language comprehension, representing a significant stride toward artificial general …
Opportunities and challenges for machine learning-assisted enzyme engineering
Enzymes can be engineered at the level of their amino acid sequences to optimize key
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
Proteinnpt: Improving protein property prediction and design with non-parametric transformers
Protein design holds immense potential for optimizing naturally occurring proteins, with
broad applications in drug discovery, material design, and sustainability. However …
broad applications in drug discovery, material design, and sustainability. However …
Computational scoring and experimental evaluation of enzymes generated by neural networks
In recent years, generative protein sequence models have been developed to sample novel
sequences. However, predicting whether generated proteins will fold and function remains …
sequences. However, predicting whether generated proteins will fold and function remains …
OpenProteinSet: Training data for structural biology at scale
Multiple sequence alignments (MSAs) of proteins encode rich biological information and
have been workhorses in bioinformatic methods for tasks like protein design and protein …
have been workhorses in bioinformatic methods for tasks like protein design and protein …
A new age in protein design empowered by deep learning
The rapid progress in the field of deep learning has had a significant impact on protein
design. Deep learning methods have recently produced a breakthrough in protein structure …
design. Deep learning methods have recently produced a breakthrough in protein structure …
[HTML][HTML] Are protein language models the new universal key?
Protein language models (pLMs) capture some aspects of the grammar of the language of
life as written in protein sequences. The so-called pLM embeddings implicitly contain this …
life as written in protein sequences. The so-called pLM embeddings implicitly contain this …
Machine learning in biological physics: From biomolecular prediction to design
Machine learning has been proposed as an alternative to theoretical modeling when
dealing with complex problems in biological physics. However, in this perspective, we argue …
dealing with complex problems in biological physics. However, in this perspective, we argue …
Context-aware geometric deep learning for protein sequence design
Protein design and engineering are evolving at an unprecedented pace leveraging the
advances in deep learning. Current models nonetheless cannot natively consider non …
advances in deep learning. Current models nonetheless cannot natively consider non …
Latent generative landscapes as maps of functional diversity in protein sequence space
Variational autoencoders are unsupervised learning models with generative capabilities,
when applied to protein data, they classify sequences by phylogeny and generate de novo …
when applied to protein data, they classify sequences by phylogeny and generate de novo …