A Python package that aims to characterise the dynamics of local chemical environments from Molecular Dynamics trajectories of proteins and other biomolecules. Public mirror of https://gitlab.jsc.fz-juelich.de/slbio/speadi.

Topological data analytic approach for discovering biophysical signatures in protein dynamics

Superposition-based Protein Embedded CA SC score

protclust is a Python library for protein sequence analysis that integrates MMseqs2 for fast clustering and provides tools for creating robust machine learning datasets. It offers cluster-aware data splitting to prevent sequence similarity bias in model evaluation, along with comprehensive protein embedding capabilities for feature generation.

🧬Protein Functions Prediction through Amino Acids Sequences🧬