Dongdong Zhang
New York, New York, United States
Summary
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SeniorDongdong Zhang is a Senior AI/ML Scientist with a PhD in Computational Chemistry and eight years of experience building ML-driven solutions for drug discovery and chemical safety. He combines graph-based deep learning, QM-informed transfer learning, and NLP/Transformer techniques to deliver state-of-the-art models for properties like pKa, solvation free energy, NMR shifts and ADME-related endpoints. His work spans end-to-end platform development—from curated chemical and QM benchmark databases and Python DL frameworks to reaction-based enumeration and docking/pocket-search tools—bridging research and production. Notably, he developed SOTA pKa and NMR models and a ligand-based toxicity platform, and has a track record of improving practical predictive workflows (e.g., solubility models that outperformed internal baselines). Based in Boston, he now focuses on GenAI and lead-hopping/hit-to-lead platforms for small-molecule optimization.
9 years of coding experience
Github Skills (16)
graph-neural-network5
sampling5
graph-algorithms4
similarity4
deep-learning3
pytorch3
algorithms3
graph3
clustering3
cheminformatics2
clustering-algorithm2
drug-discovery2
machine-learning2
go2
similarity-search1
Programming languages (3)
Github contributions (5)
whoyouwith91/solvation_energy_prediction
Mar 2022 - May 2022
Contributions:70 commits, 7 pushes, 1 comment in 1 month
whoyouwith91/EzChem
Jul 2020 - Aug 2022
Contributions:191 commits, 2 pushes in 2 years 1 month
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