Generate 3D molecular models from SMILES strings
Create a dynamic torus knot scene with random properties
Text-to-3D and Image-to-3D Generation
Play interactive 3D Pyramids game
Gradio Demo of DI-PCG
Generate 3D models from images
Generate dynamic 3D torus knot shapes
Create a dynamic 3D scene with random shapes and lights
Create an immersive 3D scene with moving lights
Generate 3D recursive polygons and math functions
Generate 3D mesh from a single image
Generate a dynamic 3D scene with floating lights and torus knots
MoGe live demo
SMILES_RDKit_Py3DMOL_FORK is a tool designed to generate 3D molecular models from SMILES strings. It leverages the power of RDKit for chemical structure processing and Py3DMOL for 3D visualization, making it a robust solution for chemists and researchers to convert 2D chemical representations into interactive 3D models.
• SMILES String Conversion: Easily convert SMILES strings into 3D molecular structures. • 3D Visualization: Generate high-quality 3D molecular models using Py3DMOL. • Chemical Manipulation: Utilize RDKit's capabilities for molecular structure manipulation and analysis. • Customizable Visualizations: Adjust visual properties such as colors, bond styles, and atom labels. • Cross-Platform Compatibility: Run the tool on Windows, macOS, and Linux systems. • Integration Ready: Easily integrate with other cheminformatics pipelines and workflows.
pip install SMILES_RDKit_Py3DMOL_FORK.from SMILES_RDKit_Py3DMOL_FORK import smiles_to_3d
smiles_to_3d function to generate a 3D model:
molecule = smiles_to_3d("CC(=O)Nc1ccc(cc1)C(=O)N") # Example SMILES string
molecule.visualize()
What is the input format for SMILES strings?
The input should be a valid SMILES string, such as "CC(=O)Nc1ccc(cc1)C(=O)N".
Can I customize the appearance of the 3D model?
Yes, you can customize colors, bond styles, and atom labels using Py3DMOL's styling options.
Is the tool compatible with all operating systems?
Yes, SMILES_RDKit_Py3DMOL_FORK is designed to work on Windows, macOS, and Linux.