Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language
- Nathaniel H. Park
- Matteo Manica
- et al.
- 2023
- Nature Communications
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12 results for Jannis Born
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Regression Transformer enables concurrent sequence regression and generation for molecular language modelling
- Jannis Born
- Matteo Manica
- 2023
- Nature Machine Intelligence
A Fully Differentiable Set Autoencoder
- Nikita Janakarajan
- Jannis Born
- et al.
- 2022
- KDD 2022
On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction
- Jannis Born
- Yoel Shoshan
- et al.
- 2022
- J. Chem. Inf. Model.
Active Site Sequence Representations of Human Kinases Outperform Full Sequence Representations for Affinity Prediction and Inhibitor Generation: 3D Effects in a 1D Model
- Jannis Born
- Tien Huynh
- et al.
- 2021
- J. Chem. Inf. Model.
PaccMannRL: De novo generation of hit-like anticancer molecules from transcriptomic data via reinforcement learning
- Jannis Born
- Matteo Manica
- et al.
- 2021
- iScience
Data-driven molecular design for discovery and synthesis of novel ligands: A case study on SARS-CoV-2
- Jannis Born
- Matteo Manica
- et al.
- 2021
- Machine Learning: Science and Tech.
PaccMann: A web service for interpretable anticancer compound sensitivity prediction
- Joris Cadow
- Jannis Born
- et al.
- 2020
- Nucleic acids research
Toward Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-Based Convolutional Encoders
- Matteo Manica
- Ali Oskooei
- et al.
- 2019
- Molecular Pharmaceutics