Microsoft’s artificial intelligence tool BioEmu can predict the multiple conformational states of a protein, giving insight into how a protein moves and its potential function.

Hierarchical clustering is of great importance in data analysis. Although there are a number of hierarchical clustering algorithms including agglomerative methods, divisive methods and hybrid methods, ...

We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP)─the problem of identifying the stable crystal structures that will form from a given molecule based ...

Large numbers of MS/MS peptide spectra generated in proteomics experiments require efficient, sensitive and specific algorithms for peptide identification. In the Open Mass Spectrometry Search ...

A structured collection of Java programs, projects, and exercises covering object-oriented programming, data structures, and algorithmic problem solving. This repository is designed for learners, ...

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Structure learning of Bayesian Networks (BNs) is an important topic in machine learning. Driven by modern applications in genetics and brain sciences, accurate and efficient learning of large-scale BN ...