molecule-visualization

There are 18 repositories under molecule-visualization topic.

  • epam/Indigo

    Universal cheminformatics toolkit, utilities and database search tools

    Language:C++344431.6k111

  • rdkit/rdkit-js

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

    Language:Dockerfile18148437

  • zotko/xyz2graph

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

    Language:Python851423

  • radi0sus/xyz2tab

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

    Language:Python36457

  • jeffrichardchemistry/molbokeh

    A new python package to visualize molecules in dots hover

    Language:Jupyter Notebook12201

  • radi0sus/xyzoverlay

    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.

    Language:Python10213

  • ISDementyev/pmUE

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

    Language:C++6203

  • DrKenReid/VAE-for-Molecule-Discovery

    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.

    Language:Jupyter Notebook2100

  • sinagilassi/MolVizr3D

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

    Language:Python2200

  • adam-srut/One-molecule-visualization

    Script for visualization of small molecules.

    Language:Julia1110

  • yanzewu/cube

    Visualization of cube files

    Language:Python1200

  • KCN1/beermol

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

    Language:Python0100

  • TinacciL/Jmol_BE_CH3OH_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/

    Language:HTML0200

  • TinacciL/Jmol_BE_H2O_visualization

    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/

    Language:HTML0200

  • TinacciL/Jmol_BE_NH3_visualization

    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/

    Language:HTML0100

  • TinacciL/Jmol_BE_prefactor_visualization

    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/

    Language:HTML0101

  • TinacciL/Jmol_cation_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/

    Language:HTML0200

  • alessandrocasalino/MolViz

    A simple molecule visualiser for Blender

    Language:Python10