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12 search results found

Graphein ⭐ 932

Protein Graph Library

Biopandas ⭐ 673

Working with molecular structures in pandas DataFrames

Jupyter_dock ⭐ 215

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

🧬 An R package for visualizing molecular data in 3D

The MPI Bioinformatics Toolkit

Protein Transformer ⭐ 25

Predicting protein structure through sequence modeling

A bare metal Python library for building and manipulating protein molecular structures

Zincbinddb ⭐ 10

The database and API backend for ZincBind - the database of zinc binding sites

MD DaVis: A python package to analyze molecular dynamics trajectories of proteins

Multi-Atom Structure/Selection Toolkit with Interaction Capabilities

Siteinterlock ⭐ 8

A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed by graph theoretic constraint counting on the covalent and noncovalent bond network. Raschka et al. (2016) Proteins: Structure, Function, and Bioinformatics

Protein-Protein Docking using Genetic Algorithm

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