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

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.

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

A new python package to visualize molecules in dots hover

Script for visualization of small molecules.

Visualization of cube files

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.

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/

A simple molecule visualiser for Blender

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/

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

HTML webpage with the Jmol applet in order to display all the water BEs on icy grain. To see it go to: https://tinaccil.github.io/Jmol_BE_H2O_visualization/

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/

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/