| Img2Mol–accurate SMILES recognition from molecular graphical depictions DA Clevert, T Le, R Winter, F Montanari Chemical science 12 (42), 14174-14181, 2021 | 56 | 2021 |
| Parameterized hypercomplex graph neural networks for graph classification T Le, M Bertolini, F Noé, DA Clevert International Conference on Artificial Neural Networks, 204-216, 2021 | 41 | 2021 |
| Neuraldecipher–reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures T Le, R Winter, F Noé, DA Clevert Chemical science 11 (38), 10378-10389, 2020 | 39 | 2020 |
| Unsupervised learning of group invariant and equivariant representations R Winter, M Bertolini, T Le, F Noe, DA Clevert Advances in Neural Information Processing Systems 35, 31942-31956, 2022 | 29 | 2022 |
| Cell morphology-guided de novo hit design by conditioning GANs on phenotypic image features PAM Zapata, O Méndez-Lucio, T Le, CJ Beese, J Wichard, D Rouquié, ... Digital Discovery 2 (1), 91-102, 2023 | 9 | 2023 |
| Representation learning on biomolecular structures using equivariant graph attention T Le, F Noe, DA Clevert Learning on Graphs Conference, 30: 1-30: 17, 2022 | 5 | 2022 |
| Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation T Le, J Cremer, F Noé, DA Clevert, K Schütt arXiv preprint arXiv:2309.17296, 2023 | 2 | 2023 |
| A community effort to discover small molecule SARS-CoV-2 inhibitors J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... American Chemical Society (ACS), 2023 | | 2023 |
| De novo drug design in continuous space T Le | | 2019 |
| Supplementary Information for Neuraldecipher-Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures T Le, R Winter, F Noé, DA Clevert | | |
| Going full hyper: hyperbolic and hypercomplex graph embeddings for ADMET modeling T Le, M Bertolini, MA Boef, F Montanari, DA Clevert | | |
Djork-Arné ClevertPfizer, VP, Machine Learning ResearchVerified email at pfizer.com
