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#molecule

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

23 records
Tagged “molecule”Ranked by health index
PyPI
99Exceptionalhealth index
ansible/molecule
An ansible-native testing framework for collections, playbooks, and roles with configurable workflows for testing any system or service
Python★ 4,148Sep 17, 2026
MITSep 17, 2026 · metrics 2.10.0
npm
89Excellenthealth index
graphieros/vue-data-ui
An open source user-empowering data visualization Vue 3 components library for eloquent data storytelling
Vue · JavaScript★ 2,444↓ 24.7K/moSep 8, 2026
MITSep 8, 2026 · metrics 2.10.0
PyPI
87Excellenthealth index
BradyAJohnston/MolecularNodes
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Python★ 1,354↓ 896/moSep 8, 2026
GPL-3.0Sep 8, 2026 · metrics 2.10.0
PyPI · npm
84Excellenthealth index
Acellera/moleculekit
MoleculeKit: Your favorite molecule manipulation kit
Python★ 243↓ 8,859/moSep 13, 2026
Custom licenseSep 13, 2026 · metrics 2.10.0
PyPI
83Excellenthealth index
CalebBell/thermo
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Python★ 784↓ 327.2K/moSep 12, 2026
MITSep 12, 2026 · metrics 2.10.0
npm
81Excellenthealth index
cheminfo/openchemlib-js
JavaScript port of OpenChemLib
Java★ 90↓ 97K/moSep 18, 2026
BSD-3-ClauseSep 18, 2026 · metrics 2.10.0
npm
81Excellenthealth index
chemistry/chemical-libraries
Common Chemical Libraries
TypeScript · JavaScript★ 15↓ 9,776/moSep 8, 2026
MITSep 8, 2026 · metrics 2.10.0
crates.io
81Excellenthealth index
kent-tokyo/chematic
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
Rust · Python★ 28↓ 8,688/moSep 9, 2026
Apache-2.0Sep 9, 2026 · metrics 2.10.0
PyPI
78Goodhealth index
gofrolist/molecule-action
GitHub Action for running molecule as part of your workflows!
Go Template · Dockerfile · Python★ 59Sep 14, 2026
MITSep 14, 2026 · metrics 2.10.0
PyPI
65Goodhealth index
BioPandas/biopandas
Working with molecular structures in pandas DataFrames
Python★ 756Sep 12, 2026
BSD-3-ClauseSep 12, 2026 · metrics 2.10.0
npm · PyPI
62Moderatehealth index
superstar54/weas
WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
JavaScript★ 15↓ 541/moSep 8, 2026
MITSep 8, 2026 · metrics 2.10.0
crates.io · npm
53Moderatehealth index
TKanX/bio-forge
A 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
MITSep 8, 2026 · metrics 2.10.0
crates.io · npm
51Moderatehealth index
jigonzalez930209/sci-form
High-performance 3D molecular conformer generation inspired by RDKit's ETKDG algorithm. Built with Rust for maximum speed, providing scientific accuracy and native support for Python, TypeScript (WASM), and CLI.
Rust★ 3↓ 116/moOct 18, 2026
MITOct 18, 2026 · metrics 2.10.0
npm
48Weakhealth index
juliocesar-io/nano-protein-viewer-react
React component for visualizing protein structures with the Mol* framework.
TypeScript★ 9↓ 78/moSep 8, 2026
MITSep 8, 2026 · metrics 2.10.0
crates.io
44Weakhealth index
caltechmsc/dreid-pack
A high-performance, pure Rust library for full-atom protein side-chain packing using the DREIDING force field, Goldstein+Split DEE, and tree-decomposition DP—with native protein–ligand and protein–nucleic acid interface support.
Rust★ 2↓ 7/moSep 10, 2026
MITSep 10, 2026 · metrics 2.10.0
npm
41Weakhealth index
jakekinchen/three-sdf-loader
No repository description published.
JavaScript · HTML★ 1↓ 60/moOct 21, 2026
MITOct 21, 2026 · metrics 2.10.0
PyPI
40Weakhealth index
beautiful-atoms/beautiful-atoms
Python module for drawing and rendering beautiful atoms and molecules using Blender.
Python★ 197↓ 30/moSep 9, 2026
GPL-3.0Sep 9, 2026 · metrics 2.10.0
npm
35Weakhealth index
gemmimol/gemmimol
Macromolecular viewer for crystallographers (WebGL)
JavaScript · TypeScript★ 4↓ 22/moSep 8, 2026
MITSep 8, 2026 · metrics 2.10.0
npm
34At Riskhealth index
epam/ketcher
Web-based molecule sketcher
TypeScript★ 882Sep 12, 2026
Apache-2.0Sep 12, 2026 · metrics 2.10.0
npm
21At Riskhealth index
osofem/molecules
Get atoms from a molucular formula
TypeScript · JavaScript★ 2↓ 12/moOct 22, 2026
MITOct 22, 2026 · metrics 2.10.0
npm
14Criticalhealth index
justinmc/tiny-molecule
A small, developer-friendly 3D molecule viewer for the modern web
JavaScript★ 4↓ 39/moSep 8, 2026
MITSep 8, 2026 · metrics 2.10.0