Topic: "molecule-visualization"
epam/Indigo
Universal cheminformatics toolkit, utilities and database search tools
Language: C++ - Size: 234 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 347 - Forks: 113
rdkit/rdkit-js
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Language: Dockerfile - Size: 15.3 MB - Last synced at: 6 days ago - Pushed at: about 2 months ago - Stars: 183 - Forks: 37
zotko/xyz2graph
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
Language: Python - Size: 7.61 MB - Last synced at: 22 days ago - Pushed at: about 2 months ago - Stars: 85 - Forks: 23
radi0sus/xyz2tab
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
Language: Python - Size: 18.1 MB - Last synced at: 20 days ago - Pushed at: about 1 year ago - Stars: 36 - Forks: 7
jeffrichardchemistry/molbokeh
A new python package to visualize molecules in dots hover
Language: Jupyter Notebook - Size: 979 KB - Last synced at: about 2 months ago - Pushed at: about 1 year ago - Stars: 12 - Forks: 1
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: Python - Size: 8.18 MB - Last synced at: 20 days ago - Pushed at: 12 months ago - Stars: 10 - Forks: 3
ISDementyev/pmUE
pmUE (Protein Modelling Unreal Engine) - a repo for constructing a molecule visualizer plugin in Unreal
Language: C++ - Size: 37.2 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 6 - Forks: 3
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 Notebook - Size: 32.2 KB - Last synced at: 2 months ago - Pushed at: 8 months ago - Stars: 2 - Forks: 0
sinagilassi/MolVizr3D
A Python package for loading, rendering, and interactively visualizing molecular structures in 3D from various formats like SDF.
Language: Python - Size: 146 KB - Last synced at: 2 months ago - Pushed at: 9 months ago - Stars: 1 - Forks: 0
KCN1/beermol
BeerMol is a small Python script to display a molecule in real time during quantum chemical calculation.
Language: Python - Size: 719 KB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
yanzewu/cube
Visualization of cube files
Language: Python - Size: 3.34 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 0 - Forks: 0
alessandrocasalino/MolViz
A simple molecule visualiser for Blender
Language: Python - Size: 24.4 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
adam-srut/One-molecule-visualization
Script for visualization of small molecules.
Language: Julia - Size: 101 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
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: HTML - Size: 13 MB - Last synced at: about 2 months ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0
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: HTML - Size: 124 KB - Last synced at: about 2 months ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
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: HTML - Size: 1.59 MB - Last synced at: about 2 months ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
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: HTML - Size: 288 KB - Last synced at: about 2 months ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 1
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: HTML - Size: 3.95 MB - Last synced at: about 2 months ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0