Tobias Rastemo

AstraZeneca (Sweden) — Sweden

Materials Science · Physical Sciences

6h-index262citations10works0.02yr avg
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Research Topics

Machine Learning in Materials Science(8), Computational Drug Discovery Methods(6), Chemistry and Chemical Engineering(5), Innovative Microfluidic and Catalytic Techniques Innovation(2), Catalysis and Oxidation Reactions(2)

Publications10 total

PySMILESUtils – Enabling deep learning with the SMILES chemical language
2021· 5 citedOpen Access
PySMILESUtils – Enabling deep learning with theSMILES chemical language
2021· 9 citedOpen Access
Practical notes on building molecular graph generative models
Applied AI Letters·2020· 27 citedOpen Access
Graph networks for molecular design
Machine Learning Science and Technology·2020· 139 citedOpen Access
Practical Notes on Building Molecular Graph Generative Models
2020Open Access
Practical Notes on Building Molecular Graph Generative Models
2020· 14 citedOpen Access
Graph Networks for Molecular Design
2020· 31 citedOpen Access
Graph Networks for Molecular Design
2020· 37 citedOpen Access
Sampling a Subset of Chemical Space with GNN-Based Generative Models
2020
Methods for using Agda to prove Safety and Liveness for Concurrent Programs
2017

Frequent Co-authors

Esben Jannik Bjerrum(8), Rocío Mercado(6), Edvard Lindelöf(6), Günter Klambauer(6), Ola Engkvist(6), Hongming Chen(6), Ross Irwin(2), Christos Kannas(2), Samuel Genheden(2), Erik Bergsten(1), Oskar Larsson Ivanov(1), Oskar Rutqvist(1), Anderas Standar(1)