[AIChemist Hands-on Session]
Rendering Multiple Molecules from a Single XYZ File in Blender
This video is a recording from the AiChemist School hands-on workshop, focused on applying AI and Machine Learning techniques to chemical research and drug discovery.
In this session, we demonstrate how to render multiple different molecules contained in a single multi-frame .xyz file using Blender.
You'll learn how to:
Import an XYZ file with multiple molecular structures (frames)
Set up Blender to process each frame automatically
Create clean, batch renders without manually importing individual files
Prepare molecular visualizations for datasets, presentations, or publications
About AiChemist:
The AiChemist School brings together young and established scientists working at the intersection of explainable AI and chemistry. It covers cutting-edge methods for chemical reactivity prediction, reaction optimization, machine learning potentials, and explainable AI applications in drug discovery and molecular sciences. (https://www.cecam.org/workshop-details/aichemist-1374)
This session is part of the MSCA Doctoral Network initiative, offering insight into the practical tools used in modern AI-driven chemistry research.
Related materials, scripts, and instructions:
https://github.com/schwallergroup/blender-aichemist
AutoAdsorbate (python package used to create the metal complex geometries):
https://github.com/basf/autoadsorbate
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