NuGet93Exceptionalhealth index

icsharpcode/ILSpy.NET Decompiler with support for PDB generation, ReadyToRun, Metadata (&more) - cross-platform!
C#★ 26.1KSep 16, 2026
PyPI87Excellenthealth index
Python★ 1,354↓ 896/moSep 8, 2026
PyPI87Excellenthealth index
Python★ 3,247Sep 17, 2026
PyPI · npm · crates.io86Excellenthealth index
TypeScript · Rust★ 31↓ 3,848/moOct 18, 2026
PyPI83Excellenthealth index
Python★ 5Sep 8, 2026
PyPI83Excellenthealth index

prody/ProDyA Python Package for Protein Dynamics Analysis
Python · C★ 560↓ 39.2K/moOct 18, 2026
PyPI · npm83Excellenthealth index
C++★ 389↓ 2M/moSep 9, 2026
crates.io81Excellenthealth index

kent-tokyo/chematicA pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
Rust · Python★ 28↓ 8,688/moSep 9, 2026
PyPI80Excellenthealth index
Python★ 0↓ 985/moSep 8, 2026

abhishektiwari/hbatHBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com
Python★ 11↓ 17.3K/moSep 16, 2026
TypeScript★ 14↓ 4,133/moSep 8, 2026
Python★ 40↓ 18.3K/moOct 18, 2026

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★ 84↓ 62.2K/moSep 8, 2026
Python★ 350↓ 3.6M/moOct 19, 2026
Python★ 343↓ 22.2K/moSep 12, 2026
Python★ 756Sep 12, 2026
PyPI · npm65Goodhealth 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★ 11↓ 1,744/moSep 8, 2026
Python★ 9↓ 82/moSep 8, 2026

t-0hmura/mlmm_toolkitMachine‑Learning / Molecular‑Mechanics (ML/MM) hybrid calculator and CLI toolset for Mechanistic Investigation of Enzymatic Reactions.
Python★ 23↓ 357/moSep 9, 2026

t-0hmura/pdb2reactionEnd-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials
Python★ 26↓ 378/moSep 5, 2026
Julia★ 106Sep 10, 2026
Go · npm62Moderatehealth index

imneeteeshyadav98/kubepreflightKubernetes upgrade-readiness CLI and Console for detecting deprecated APIs, webhook blockers, PDB risks, unhealthy workloads, node skew, and upgrade action plans.
Go · TypeScript★ 0Sep 13, 2026
NuGet60Moderatehealth index

dotnet/symreader-portableReader of Portable PDBs format that implements DiaSymReader interfaces (ISymUnmanagedReader, ISymUnmanagedBinder, etc.).
C# · Shell · PowerShell★ 90Sep 11, 2026
PyPI57Moderatehealth index
Python★ 0↓ 975/moSep 8, 2026
crates.io · PyPI57Moderatehealth index
Rust★ 21↓ 406/moSep 8, 2026
crates.io57Moderatehealth index

mstange/pdb-addr2lineA Rust crate to symbolicate addresses from PDBs, like addr2line. Uses the `pdb` crate.
Rust★ 40↓ 243.1K/moSep 13, 2026
npm57Moderatehealth index
C++★ 6↓ 15/moOct 18, 2026
npm56Moderatehealth index

Piebald-AI/node-liefNode.js bindings for LIEF, a library to parse and manipulate ELF, PE, and Mach-O executables.
JavaScript · C++★ 9↓ 36.4K/moSep 9, 2026
crates.io · npm53Moderatehealth index

TKanX/bio-forgeA high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and unifies topologies to forge simulation-ready structures.
Rust · TypeScript★ 141↓ 213/moSep 8, 2026
PyPI53Moderatehealth index

bretello/pdbpppdb++, a drop-in replacement for pdb (the Python debugger)
Python★ 52↓ 1.3M/moSep 17, 2026