AIMC Topic: Software

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Automated Workflows for Data Curation and Machine Learning to Develop Quantitative Structure-Activity Relationships.

Methods in molecular biology (Clifton, N.J.)
The recent advancements in machine learning and the new availability of large chemical datasets made the development of tools and protocols for computational chemistry a topic of high interest. In this chapter a standard procedure to develop Quantita...

Generative Modeling of RNA Sequence Families with Restricted Boltzmann Machines.

Methods in molecular biology (Clifton, N.J.)
In this chapter, we discuss the potential application of Restricted Boltzmann machines (RBM) to model sequence families of structured RNA molecules. RBMs are a simple two-layer machine learning model able to capture intricate sequence dependencies in...

gRNAde: A Geometric Deep Learning Pipeline for 3D RNA Inverse Design.

Methods in molecular biology (Clifton, N.J.)
Fundamental to the diverse biological functions of RNA are its 3D structure and conformational flexibility, which enable single sequences to adopt a variety of distinct 3D states. Currently, computational RNA design tasks are often posed as inverse p...

Machine Learning for RNA Design: LEARNA.

Methods in molecular biology (Clifton, N.J.)
Machine learning algorithms, and in particular deep learning approaches, have recently garnered attention in the field of molecular biology due to remarkable results. In this chapter, we describe machine learning approaches specifically developed for...

Machine and Deep Learning Methods for Predicting 3D Genome Organization.

Methods in molecular biology (Clifton, N.J.)
Three-dimensional (3D) chromatin interactions, such as enhancer-promoter interactions (EPIs), loops, topologically associating domains (TADs), and A/B compartments, play critical roles in a wide range of cellular processes by regulating gene expressi...

DDGemb: predicting protein stability change upon single- and multi-point variations with embeddings and deep learning.

Bioinformatics (Oxford, England)
MOTIVATION: The knowledge of protein stability upon residue variation is an important step for functional protein design and for understanding how protein variants can promote disease onset. Computational methods are important to complement experimen...

BetaAlign: a deep learning approach for multiple sequence alignment.

Bioinformatics (Oxford, England)
MOTIVATION: Multiple sequence alignments (MSAs) are extensively used in biology, from phylogenetic reconstruction to structure and function prediction. Here, we suggest an out-of-the-box approach for the inference of MSAs, which relies on algorithms ...

DPAM-AI: a domain parser for AlphaFold models powered by artificial intelligence.

Bioinformatics (Oxford, England)
MOTIVATION: Due to the breakthrough in protein structure prediction by AlphaFold, the scientific community has access to 200 million predicted protein structures with near-atomic accuracy from the AlphaFold protein structure DataBase (AFDB), covering...

TPepPro: a deep learning model for predicting peptide-protein interactions.

Bioinformatics (Oxford, England)
MOTIVATION: Peptides and their derivatives hold potential as therapeutic agents. The rising interest in developing peptide drugs is evidenced by increasing approval rates by the FDA of USA. To identify the most potential peptides, study on peptide-pr...

Reading the repertoire: Progress in adaptive immune receptor analysis using machine learning.

Cell systems
The adaptive immune system holds invaluable information on past and present immune responses in the form of B and T cell receptor sequences, but we are limited in our ability to decode this information. Machine learning approaches are under active in...