PyRank

Molecule Visualization Python Packages

Python packages with the GitHub topic molecule-visualization. Sorted by relevance, with stars and monthly downloads.
epam
epam-indigo

Universal cheminformatics toolkit, utilities and database search tools

211K 398 128
epam
bingo-elastic

Universal cheminformatics toolkit, utilities and database search tools

3K 398 128
Augus1999
chembfn-webui

A web-based UI to host ChemBFN generative models and visualise the generated molecules. 🛠️pip install chembfn-webui

2K 1 0
jurimaxam-dotcom
chemdraw-mcp

MCP server for Claude: molecule names or SMILES → publication-style 2D structure drawings (PNG/SVG, offline via RDKit), reaction schemes, curved-arrow mechanisms and schematic spectra. Optional ChemDraw CDXML export — unofficial, not affiliated with Revvity.

707 4 1
zotko
xyz2graph

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

594 87 22
jeffrichardchemistry
molbokeh

A new python package to visualize molecules in dots hover

222 13 1