PyPI
lukasturcani/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
MIT11 oct 2026 · métricas 2.10.0
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#chemistry
Todos los repositorios del registro público que llevan esta etiqueta, procedente de sus topics de GitHub o de las palabras clave que publican sus registros de paquetes. La salud se mide con la misma metodología versionada que el resto del registro.
59 registros
PyPI
HaoZeke/rgpycrumbs
A dispatcher-based analytical and visualization suite for chemical physics
MIT10 sept 2026 · métricas 2.10.0
npm
cheminfo/openchemlib-sqlite
El repositorio no publica descripción.
MIT22 oct 2026 · métricas 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 · métricas 2.10.0
PyPI
ryannduma/CrystaLyse.AI
Intelligent Scientific Agent for Materials Design
MIT9 sept 2026 · métricas 2.10.0
npm
cheminfo/cheminfo-types
El repositorio no publica descripción.
MIT19 oct 2026 · métricas 2.10.0
NuGet
nuscien/trivial
A set of powerful development kit: JSON, task management, numerals, chemistry, etc.
MIT21 oct 2026 · métricas 2.10.0
PyPI
Electrostatics/mmcif_pdbx
Yet another version of PDBx/mmCIF Python implementation
CC0-1.022 oct 2026 · métricas 2.10.0
PyPI
mcs07/PubChemPy
Python wrapper for the PubChem PUG REST API.
MIT24 ago 2026 · métricas 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 oct 2026 · métricas 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 · métricas 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.
MIT22 oct 2026 · métricas 2.10.0
npm
juliocesar-io/nano-protein-viewer-react
React component for visualizing protein structures with the Mol* framework.
MIT22 oct 2026 · métricas 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 · métricas 2.10.0
PyPI
seixas-research/mandacaru
For simulating fermionic quantum systems
MIT19 sept 2026 · métricas 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 · métricas 2.10.0
npm
ghost---shadow/vamos-hose
El repositorio no publica descripción.
AGPL-3.015 jul 2026 · métricas 2.10.0
PyPI
photophys/structure_clustering
Python package for fast exact clustering of similar molecular structures through parameterized connectivity graphs.
MIT18 oct 2026 · métricas 2.10.0
npm
y1j2x34/markdown-it-smiles
A markdown-it plugin for rendering chemical structures from SMILES notation using smilesDrawer.
MIT21 oct 2026 · métricas 2.10.0
npm
cheminfo/cif-to-json
Parse X-ray CIF format
MIT8 sept 2026 · métricas 2.10.0
npm
ghost---shadow/selfies-js
A pure JavaScript implementation of the SELFIES molecular string representation
MIT14 jul 2026 · métricas 2.10.0
RubyGems
LabIMotion/labimotion
LabIMotion: Where Adaptability Meets Innovation in Scientific Solutions.
AGPL-3.013 sept 2026 · métricas 2.10.0
Maven
ipb-halle/MolecularFaces
Java Server Faces UI components for chemistry and biochemistry
Apache-2.01 oct 2026 · métricas 2.10.0
PyPI
Electrostatics/apbs
Software for biomolecular electrostatics and solvation calculations
Licencia propia10 sept 2026 · métricas 2.10.0
npm
epam/ketcher
Web-based molecule sketcher
Apache-2.012 sept 2026 · métricas 2.10.0
PyPI
Electrostatics/go2pdb
Extract PDB entries annotated with specific GO codes
Licencia propia22 oct 2026 · métricas 2.10.0
npm
milicazmarkovic/selfies-js
El repositorio no publica descripción.
Licencia propia22 oct 2026 · métricas 2.10.0
npm
osofem/molecules
Get atoms from a molucular formula
MIT22 oct 2026 · métricas 2.10.0
npm
lukasturcani/mol-draw
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
Licencia propia22 oct 2026 · métricas 2.10.0