icsharpcode/ILSpy.NET Decompiler with support for PDB generation, ReadyToRun, Metadata (&more) - cross-platform!
C#★ 25.7KJul 17, 2026
bradyajohnston/molecularnodesToolbox for molecular animations in Blender, powered by Geometry Nodes.
Python★ 1,317Jul 15, 2026
PyPI · npm70Goodhealth index
project-gemmi/gemmimacromolecular crystallography library and utilities
C++★ 364↓ 536.2K/moJul 17, 2026
PyPI69Moderatehealth index
haddocking/protein-questPython package to search/retrieve/filter proteins and protein structures
Python★ 5Jul 15, 2026
PyPI67Moderatehealth index
elkins/synth-pdbGenerate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..
Python★ 1↓ 3,758/moJul 15, 2026
PyPI64Moderatehealth index
cokelaer/bioservicesAccess to Biological Web Services from Python.
Python★ 340↓ 36.1K/moJul 21, 2026
PyPI63Moderatehealth index
t-0hmura/mlmm_toolkitMachine‑Learning / Molecular‑Mechanics (ML/MM) hybrid calculator and CLI toolset for Mechanistic Investigation of Enzymatic Reactions.
Python★ 17↓ 387/moJul 17, 2026
npm62Moderatehealth index
bugsplat-git/symbol-upload💻🔀☁️ Cross-platform symbol upload utility and symbol server layout creator for BugSplat
TypeScript · JavaScript★ 13↓ 2,955/moJul 15, 2026
PyPI62Moderatehealth index
t-0hmura/pdb2reactionEnd-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials
Python★ 15↓ 2,374/moJul 14, 2026
PyPI61Moderatehealth index
PDBeurope/ccdutilsA set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit
Python★ 82Jul 15, 2026
BIoJulia/BIoStructures.jlA Julia package to read, write and manipulate macromolecular structures
Julia★ 105Jul 17, 2026
PyPI · crates.io57Moderatehealth index
hfooladi/pdbrustA Rust library for parsing PDB (Protein Data Bank) files
Rust★ 20↓ 997/moJul 15, 2026
PyPI56Moderatehealth index
PDBeurope/relligIdentifies relevant ligands in the PDB
Python★ 9Jul 15, 2026
PyPI55Moderatehealth index
BioPandas/biopandasWorking with molecular structures in pandas DataFrames
Python★ 756Jul 21, 2026
npm53Moderatehealth index
PDBeurope/mmcif-validatorReal-time VSCode extension and standalone Python script for validating mmCIF/CIF files against the PDBx/mmCIF dictionary or any CIF dictionary.
Python · TypeScript★ 10Jul 15, 2026
npm52Moderatehealth index
Piebald-AI/node-liefNode.js bindings for LIEF, a library to parse and manipulate ELF, PE, and Mach-O executables.
JavaScript · C++★ 8↓ 10.2K/moJul 17, 2026
PyPI · npm50Moderatehealth index
N283T/pdb-mine-builderBuild a Mine-schema database from PDB data. Load PDBj structural biology data into PostgreSQL with RDKit chemical search support.
Python★ 0↓ 1,096/moJul 15, 2026
PyPI50Moderatehealth index
pdbeurope/investigationsThis application is designed to create mmcif files from facilities data.
Python★ 6↓ 1,071/moJul 15, 2026
PyPI49At riskhealth index
PDBEurope/mmcif-genThis application is designed to create mmcif files from facilities data.
Python★ 6Jul 17, 2026
PyPI48At riskhealth index
AkhilTeja2209/ProteinspyPython library and a CLI tool to analyze protein sample files
Python★ 0↓ 975/moJul 15, 2026
juliocesar-io/nano-protein-viewer-reactReact component for visualizing protein structures with the Mol* framework.
TypeScript★ 8↓ 710/moJul 15, 2026
PyPI48At riskhealth index
n283t/view-cifCLI tool to view CIF files from various sources in your editor
Python★ 0Jul 15, 2026
PyPI47At riskhealth index
gotcha/ipdbIntegration of IPython pdb
Python★ 1,975Jul 18, 2026
PyPI46At riskhealth index
crabisoft/pdbstorePublish PDB and PE files to symbols store
Python★ 2Jul 15, 2026
PyPI46At riskhealth index
scipion-em/scipion-em-atomstructutilsutilities for handling PDB/mmcif atomic structure files
Python★ 0Jul 17, 2026
PyPI45At riskhealth index
gqy20/protein-mcpFastMCP-based protein data access tools for bioinformatics research
Python★ 0↓ 682/moJul 15, 2026
PyPI44At riskhealth index
diggerdu/apdbapdb: python debugger for agents
Python★ 0↓ 1,522/moJul 15, 2026
PyPI43At riskhealth index
PDBeurope/pdbecifA lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
Python★ 38↓ 8,169/moJul 17, 2026
PyPI43At riskhealth index
a-r-j/cpdbCython implementation of PDB -> DataFrame parsing
Cython · Jupyter Notebook · Python★ 34↓ 20.1K/moJul 15, 2026
uclorengogroup/cath-toolsProtein structure comparison tools such as SSAP and SNAP
C++ · Promela★ 67Jul 15, 2026