Calculation of interatomic interactions in molecular structures

Systematic evaluation of hallucination risks in Large Language Models (GPT-4, Claude 3, Gemini Pro) for clinical proteomics and mass spectrometry interpretation. Production-ready detection framework with comprehensive benchmarks.

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

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.

Superposition-based Protein Embedded CA SC score

🧬 Design proteins efficiently with ProteinDJ, a Nextflow pipeline integrating key software tools for binder design and parameter optimization.

🧬 AI-powered protein structure-function analysis tool with 8-state secondary structure prediction, functional region identification, and interactive visualization. Built for researchers, educators, and students to understand how protein structure drives biological function.

Stand Alone version of ConSurf with better amino acid analysis - (installation + database + usage + analysis) - Fork of leezx/ConSurf-StandAlone

Python tool for analyzing protein point mutations. Calculates changes in molecular weight, charge, and hydrophobicity. Classifies mutations by severity and generates visualizations and HTML reports.

Comparative analysis of p53 protein across species

Python toolkit for advanced genomic analysis, motif discovery, and protein sequence exploration

🧬Protein Functions Prediction through Amino Acids Sequences🧬

Batch calculation of ProtParam-style protein properties from FASTA files using Biopython. Designed for large datasets without using the ExPASy web interface.

A full-stack bioinformatics website for searching, aligning, and visualising protein sequences by taxon.

A Python tool to compute physicochemical properties of proteins from FASTA files. Supports molecular weight, isoelectric point (pI), instability index, aliphatic index, and GRAVY score using Biopython.