PyPI
HaoZeke/rgpycrumbs
A dispatcher-based analytical and visualization suite for chemical physics
MITSep 10, 2026 · metrics 2.10.0
All tags
Catalogue tag
#chemistry
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.
59 records
npm
cheminfo/openchemlib-sqlite
No repository description published.
MITOct 22, 2026 · metrics 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.
MITSep 10, 2026 · metrics 2.10.0
PyPI
ryannduma/CrystaLyse.AI
Intelligent Scientific Agent for Materials Design
MITSep 9, 2026 · metrics 2.10.0
PyPI
Electrostatics/mmcif_pdbx
Yet another version of PDBx/mmCIF Python implementation
CC0-1.0Sep 8, 2026 · metrics 2.10.0
crates.io · PyPI
HFooladi/pdbrust
A Rust library for parsing PDB (Protein Data Bank) files
MITSep 8, 2026 · metrics 2.10.0
npm
cheminfo/cheminfo-types
No repository description published.
MITOct 19, 2026 · metrics 2.10.0
NuGet
nuscien/trivial
A set of powerful development kit: JSON, task management, numerals, chemistry, etc.
MITOct 21, 2026 · metrics 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.
MITSep 8, 2026 · metrics 2.10.0
PyPI
mcs07/PubChemPy
Python wrapper for the PubChem PUG REST API.
MITAug 24, 2026 · metrics 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.
MITOct 18, 2026 · metrics 2.10.0
PyPI · crates.io
mlund/duello
Osmotic second virial coefficient (𝐵₂) and dissociation constant (𝐾𝑑) for two rigid macromolecules
Apache-2.0Sep 9, 2026 · metrics 2.10.0
npm
juliocesar-io/nano-protein-viewer-react
React component for visualizing protein structures with the Mol* framework.
MITSep 8, 2026 · metrics 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-3.0Sep 14, 2026 · metrics 2.10.0
PyPI
seixas-research/mandacaru
For simulating fermionic quantum systems
MITSep 19, 2026 · metrics 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.
MITSep 10, 2026 · metrics 2.10.0
npm
ghost---shadow/vamos-hose
No repository description published.
AGPL-3.0Jul 15, 2026 · metrics 2.10.0
PyPI
photophys/structure_clustering
Python package for fast exact clustering of similar molecular structures through parameterized connectivity graphs.
MITOct 18, 2026 · metrics 2.10.0
npm
y1j2x34/markdown-it-smiles
A markdown-it plugin for rendering chemical structures from SMILES notation using smilesDrawer.
MITOct 21, 2026 · metrics 2.10.0
npm
cheminfo/cif-to-json
Parse X-ray CIF format
MITSep 8, 2026 · metrics 2.10.0
npm
ghost---shadow/selfies-js
A pure JavaScript implementation of the SELFIES molecular string representation
MITJul 14, 2026 · metrics 2.10.0
RubyGems
LabIMotion/labimotion
LabIMotion: Where Adaptability Meets Innovation in Scientific Solutions.
AGPL-3.0Sep 13, 2026 · metrics 2.10.0
Maven
ipb-halle/MolecularFaces
Java Server Faces UI components for chemistry and biochemistry
Apache-2.0Oct 1, 2026 · metrics 2.10.0
PyPI
Electrostatics/apbs
Software for biomolecular electrostatics and solvation calculations
Custom licenseSep 10, 2026 · metrics 2.10.0
npm
epam/ketcher
Web-based molecule sketcher
Apache-2.0Sep 12, 2026 · metrics 2.10.0
PyPI
Electrostatics/go2pdb
Extract PDB entries annotated with specific GO codes
Custom licenseSep 8, 2026 · metrics 2.10.0
npm
milicazmarkovic/selfies-js
No repository description published.
Custom licenseOct 22, 2026 · metrics 2.10.0
npm
osofem/molecules
Get atoms from a molucular formula
MITOct 22, 2026 · metrics 2.10.0
npm
lukasturcani/mol-draw
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
Custom licenseOct 22, 2026 · metrics 2.10.0