PyPI
HaoZeke/rgpycrumbs
A dispatcher-based analytical and visualization suite for chemical physics
MIT10. Sept. 2026 · Metriken 2.10.0
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Katalog-Tag
#chemistry
Alle Repositories im öffentlichen Register, die dieses Tag tragen — aus ihren GitHub-Topics oder den von ihren Paket-Registries veröffentlichten Schlagwörtern. Die Gesundheit wird nach derselben versionierten Methodik gemessen wie im übrigen Register.
59 Einträge
npm
cheminfo/openchemlib-sqlite
Keine Repository-Beschreibung veröffentlicht.
MIT22. Okt. 2026 · Metriken 2.10.0
Go · npm
julienpoirou/hugo-mod-katex
Hugo module to render LaTeX math and chemistry formulas with KaTeX, mhchem support, fast client-side rendering, and auto-detection.
MIT10. Sept. 2026 · Metriken 2.10.0
PyPI
ryannduma/CrystaLyse.AI
Intelligent Scientific Agent for Materials Design
MIT9. Sept. 2026 · Metriken 2.10.0
PyPI
Electrostatics/mmcif_pdbx
Yet another version of PDBx/mmCIF Python implementation
CC0-1.08. Sept. 2026 · Metriken 2.10.0
crates.io · PyPI
HFooladi/pdbrust
A Rust library for parsing PDB (Protein Data Bank) files
MIT8. Sept. 2026 · Metriken 2.10.0
npm
cheminfo/cheminfo-types
Keine Repository-Beschreibung veröffentlicht.
MIT19. Okt. 2026 · Metriken 2.10.0
NuGet
nuscien/trivial
A set of powerful development kit: JSON, task management, numerals, chemistry, etc.
MIT21. Okt. 2026 · Metriken 2.10.0
crates.io · npm
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.
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
mcs07/PubChemPy
Python wrapper for the PubChem PUG REST API.
MIT24. Aug. 2026 · Metriken 2.10.0
crates.io · npm
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.
MIT18. Okt. 2026 · Metriken 2.10.0
PyPI · crates.io
mlund/duello
Osmotic second virial coefficient (𝐵₂) and dissociation constant (𝐾𝑑) for two rigid macromolecules
Apache-2.09. Sept. 2026 · Metriken 2.10.0
npm
juliocesar-io/nano-protein-viewer-react
React component for visualizing protein structures with the Mol* framework.
MIT8. Sept. 2026 · Metriken 2.10.0
npm
rod2ik/tikzjax
rod2ik/TikZJax is mainly an Integration of tkz-tab inside TikZJax, to natively render Maths Variations Tables/Sign Tables in standalone HTML and in MkDocs Material Light/Dark Themes. It is TikZ AND tkz-tab running under WebAssembly in the browser,.
GPL-3.014. Sept. 2026 · Metriken 2.10.0
PyPI
seixas-research/mandacaru
For simulating fermionic quantum systems
MIT19. Sept. 2026 · Metriken 2.10.0
crates.io
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.
MIT10. Sept. 2026 · Metriken 2.10.0
npm
ghost---shadow/vamos-hose
Keine Repository-Beschreibung veröffentlicht.
AGPL-3.015. Juli 2026 · Metriken 2.10.0
PyPI
photophys/structure_clustering
Python package for fast exact clustering of similar molecular structures through parameterized connectivity graphs.
MIT18. Okt. 2026 · Metriken 2.10.0
npm
y1j2x34/markdown-it-smiles
A markdown-it plugin for rendering chemical structures from SMILES notation using smilesDrawer.
MIT21. Okt. 2026 · Metriken 2.10.0
npm
cheminfo/cif-to-json
Parse X-ray CIF format
MIT8. Sept. 2026 · Metriken 2.10.0
npm
ghost---shadow/selfies-js
A pure JavaScript implementation of the SELFIES molecular string representation
MIT14. Juli 2026 · Metriken 2.10.0
RubyGems
LabIMotion/labimotion
LabIMotion: Where Adaptability Meets Innovation in Scientific Solutions.
AGPL-3.013. Sept. 2026 · Metriken 2.10.0
Maven
ipb-halle/MolecularFaces
Java Server Faces UI components for chemistry and biochemistry
Apache-2.01. Okt. 2026 · Metriken 2.10.0
PyPI
Electrostatics/apbs
Software for biomolecular electrostatics and solvation calculations
Eigene Lizenz10. Sept. 2026 · Metriken 2.10.0
npm
epam/ketcher
Web-based molecule sketcher
Apache-2.012. Sept. 2026 · Metriken 2.10.0
PyPI
Electrostatics/go2pdb
Extract PDB entries annotated with specific GO codes
Eigene Lizenz8. Sept. 2026 · Metriken 2.10.0
npm
milicazmarkovic/selfies-js
Keine Repository-Beschreibung veröffentlicht.
Eigene Lizenz22. Okt. 2026 · Metriken 2.10.0
npm
osofem/molecules
Get atoms from a molucular formula
MIT22. Okt. 2026 · Metriken 2.10.0
npm
lukasturcani/mol-draw
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
Eigene Lizenz22. Okt. 2026 · Metriken 2.10.0