Universal cheminformatics toolkit, utilities and database search tools
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
A new python package to visualize molecules in dots hover
Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.
Draw chemistry from chat: names or SMILES → publication-ready 2D structures, reaction schemes and curved-arrow mechanisms. PNG/SVG rendered offline with RDKit. MCP server for Claude Desktop (unofficial; CDXML export optional).
pmUE (Protein Modelling Unreal Engine) - a repo for constructing a molecule visualizer plugin in Unreal
A Python package for loading, rendering, and interactively visualizing molecular structures in 3D from various formats like SDF.
A Variational Autoencoder in Google Colab to generate and visualize novel molecular structures for potential drug discovery applications, using the QM9 dataset and SMILES representation.
QuantUI puts PySCF behind an interactive Jupyter/Voilà UI. Run DFT, MP2, TD-DFT, NMR, geometry optimization, frequencies, and PES scans — visualize structures, orbitals, IR and UV-Vis spectra, all on your laptop.
Script for visualization of small molecules.
A web-based UI to host ChemBFN generative models and visualise the generated molecules. 🛠️pip install chembfn-webui
2D chemical viewer (C++, Qt, RDKit)
A chemistry practice program with systematic IUPAC nomenclature and 3D model support
A set of tools enhancing Blender and Molecular Nodes for structural biology
Visualization of cube files
Download ChemDraw Professional for advanced chemical drawing and editing. Generate IUPAC names, predict properties, and integrate with other research tools. Essential software for chemists and biologists in academia and industry.
3D molecule renderer controlled by hand gestures. Point, pinch, and rotate structures in real time.
A simple molecule visualiser for Blender
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