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Artificial Intelligence in Computational Chemistry and Drug Design

Welcome to our website!

This is an independent research group, led by Amir Mahdi Zardoshti and Amir Reza Zardoshti, focused on the application of Artificial Intelligence β€” especially Deep Learning β€” in the fields of Computational Chemistry and Computational Drug Design. Founded out of a deep love for science and a passion for advancing molecular research, the group aspires to contribute to this field for many years to come β€” a hope and commitment that drives its mission forward:)

 

Point Cloud-based Deep Learning to Predict Drug Efficacy on the VEGFR2 Protein

DRGN1: Novel Approach in De Novo Drug Design

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About Amir Mahdi Zardoshti

Amir Mahdi Zardoshti is a passionate researcher in the field of chemistry, currently pursuing a Master of Science in Physical Chemistry at Sharif University of Technology. He previously earned his Bachelor of Science in Applied Chemistry from the University of Tehran. Driven by a deep love for science and innovation, he founded this independent research group to explore the powerful intersection of Artificial Intelligence and molecular science.




 

Our Only GPU: NVIDIA Tesla K80

The NVIDIA Tesla K80 is a powerful dual-GPU accelerator designed primarily for high-performance computing (HPC), deep learning, and scientific simulations. Although it’s not the newest GPU on the market, it still provides reliable computational power for tasks like neural network training, large-scale data processing, and parallel workloads.

πŸ”§ Key Specs:

  • Architecture: Kepler

  • CUDA Cores: 4,992 (2Γ— 2,496 cores)

  • Memory: 24 GB GDDR5 (12 GB per GPU)

  • Memory Bandwidth: Up to 480 GB/s

  • TDP: 300W