Ekaterina Gracheva
Data Scientist
Tsukuba, Japan
Summary
👤
Senior🎓
Top SchoolEkaterina Gracheva is a data scientist with a PhD in Computer Science and a Master’s in Nuclear and Particle Physics, bringing 11 years of experience applying machine learning to materials science problems. She led ML-driven experimental optimization at Japan’s National Institute for Materials Science, developing molecular featurization, property prediction models, and Bayesian experimental loops for fuel cell additive design. Now at CrowdChem she focuses on improving model accuracy, maintaining an in-house molecular and experimental database, and translating cutting-edge modeling techniques into industrial research workflows. Comfortable across random forests, LSTMs and graph neural networks, she also bridges academic and industry teams across Southeast Asia, Europe and Japan and remains active in publications and conferences. An unexpected facet: alongside her research career she runs a yoga studio, reflecting a pragmatic balance of analytical rigor and human-centered practice.
11 years of coding experience
4 years of employment as a software developer
Doctor of Philosophy - PhD, Computer Science, PhD in Engineering, Doctor of Philosophy - PhD, Computer Science, PhD in Engineering at University of TsukubaLomonosov Moscow State University
English, French, Russian, Japanese
Github Skills (17)
compounds10
biology9
computational-biology8
drug-discovery8
proteins8
discovery8
chemistry8
docking8
structural-biology7
quantum-chemistry7
deep-learning7
science7
datasets6
python5
architecture4
Programming languages (2)
Github contributions (5)
egracheva/epsinas
Sep 2022 - Mar 2025
Contributions:8 PRs, 30 pushes, 18 branches in 2 years 5 months
Lambard-ML-Team/SMILES-X
Mar 2023 - Sep 2024
Contributions:1 PR, 44 pushes, 15 branches in 1 year 6 months
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