For the full CV, please get in touch on LinkedIn.
Work
-
Chemoinformatics Data Engineer
Qubit Pharmaceuticals · – · Paris, France
ADME transfer learning · MLOps · Data pipelines (10M+ DFT) · JAX scaling · Pytorch
-
Postdoctoral Researcher
Eli Lilly; Laboratory of Chemoinformatics · – · Strasbourg, France
Dimensionality reduction (GTM) · Ultra-large chemical space · DEL GNNs · De novo AMP design
-
PhD Candidate
Laboratory of Chemoinformatics · – · Strasbourg, France
AI retrosynthesis · Deep learning · GNN-guided MCTS · Molecular generators
-
Master Student
Laboratory of Chemoinformatics · – · Strasbourg, France
Reaction standardization · USPTO · Reaxys · Pistachio
-
Engineer
Chemoinformatics and Molecular Modelling Lab · – · Kazan, Russia
QSPR reaction kinetics · Condition-aware validation · Generalization-focused CV
Publications
-
2026
- Leveraging the Condensed Graph of Reaction for Clustering Retrosynthetic Pathways
- Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping
- Chemography in Action: Visualization and Analysis of Chemical Space in Industrial Drug Discovery Context
- 2025
- 2024
- 2023
- 2022
- 2021
- 2019
Developments
- SynPlanner
End-to-end synthesis planning stack · main developer
- HyFactor
Graph-based generative model for molecular structure generation · main developer
- VQGAE
Vector-quantized graph autoencoder for molecule design · main developer
- Chython
Library for processing molecules and reactions · contributor
- ChemographyKit
GTM implementation in PyTorch for chemography applications · contributor