| Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations R Winter, F Montanari, F Noé, DA Clevert Chemical science 10 (6), 1692-1701, 2019 | 377 | 2019 |
| Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space R Winter, F Montanari, A Steffen, H Briem, F Noé, DA Clevert Chemical Science, 2019 | 204 | 2019 |
| Img2Mol–accurate SMILES recognition from molecular graphical depictions DA Clevert, T Le, R Winter, F Montanari Chemical science 12 (42), 14174-14181, 2021 | 42 | 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 | 32 | 2020 |
| Unsupervised Learning of Group Invariant and Equivariant Representations R Winter, M Bertolini, T Le, F Noé, DA Clevert Advances in Neural Information Processing Systems 35, 31942--31956, 2022 | 18 | 2022 |
| Permutation-invariant variational autoencoder for graph-level representation learning R Winter, F Noé, DA Clevert Advances in Neural Information Processing Systems 34, 9559-9573, 2021 | 12 | 2021 |
| Deep protein-ligand binding prediction using unsupervised learned representations P Kim, R Winter, DA Clevert | 11 | 2020 |
| grünifai: interactive multiparameter optimization of molecules in a continuous vector space R Winter, J Retel, F Noé, DA Clevert, A Steffen Bioinformatics 36 (13), 4093-4094, 2020 | 8 | 2020 |
| Unsupervised representation learning for proteochemometric modeling PT Kim, R Winter, DA Clevert International Journal of Molecular Sciences 22 (23), 12882, 2021 | 7 | 2021 |
| Auto-encoding molecular conformations R Winter, F Noé, DA Clevert arXiv preprint arXiv:2101.01618, 2021 | 7 | 2021 |
| Deep learning for de novo drug design R Winter, F Montanari, DA Clevert Ultraschall in der Medizin-European Journal of Ultrasound 40 (S 01), WS17-1, 2019 | 1 | 2019 |
| A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics, 2023 | | 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 |
| DeepPCM: Predicting Protein-Ligand Binding using Unsupervised Learned Representations P Kim, R Winter, DA Clevert | | 2019 |
| IVE-GAN: Invariant Encoding Generative Adversarial Networks R Winter, DA Clevert arXiv preprint arXiv:1711.08646, 2017 | | 2017 |
