Universal cheminformatics toolkit, utilities and database search tools

• UpdatedNov 5, 2025
• C++

A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .

• UpdatedOct 1, 2025
• Dockerfile

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

• UpdatedAug 18, 2025
• Python

Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables

• UpdatedFeb 22, 2024
• Python

A new python package to visualize molecules in dots hover

• UpdatedFeb 15, 2024
• Jupyter Notebook

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.

• UpdatedMay 3, 2024
• Python

pmUE (Protein Modelling Unreal Engine) - a repo for constructing a molecule visualizer plugin in Unreal

• UpdatedMar 7, 2025
• C++

A Python package for loading, rendering, and interactively visualizing molecular structures in 3D from various formats like SDF.

• UpdatedJul 24, 2025
• Python

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.

• UpdatedAug 21, 2024
• Jupyter Notebook

Script for visualization of small molecules.

• UpdatedFeb 20, 2024
• Julia

Visualization of cube files

• UpdatedMay 18, 2024
• Python

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

• UpdatedOct 30, 2025
• Jupyter Notebook

chemical viewer

• UpdatedNov 3, 2025
• C++

HTML webpage with the Jmol applet in order to display all the ammonia BEs on icy grain. To see it go to:https://tinaccil.github.io/Jmol_BE_NH3_visualization/

• UpdatedApr 4, 2023
• HTML

A simple molecule visualiser for Blender

• UpdatedFeb 28, 2024
• Python

HTML webpage with the Jmol applet in order to display all the samples. To see it go to:https://tinaccil.github.io/Jmol_BE_prefactor_visualization/

• UpdatedJun 9, 2022
• HTML

BeerMol is a Python script to display a molecule in real time during quantum chemical calculation.

• UpdatedOct 31, 2024
• Python

HTML webpage with the Jmol applet in order to display all the ISM cations. To see it go to:https://tinaccil.github.io/Jmol_cation_visualization/

• UpdatedApr 4, 2023
• HTML

HTML webpage with the Jmol applet in order to display all the methanol BEs on icy grain. To see it go to:https://tinaccil.github.io/Jmol_BE_CH3OH_visualization/

• UpdatedFeb 28, 2022
• HTML

Mol* website

• UpdatedOct 26, 2025
• JavaScript