| 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ... Digital Discovery 2 (5), 1233-1250, 2023 | 83 | 2023 |
| GAUCHE: a library for Gaussian processes in chemistry RR Griffiths, L Klarner, H Moss, A Ravuri, S Truong, Y Du, S Stanton, ... Advances in Neural Information Processing Systems 36, 2024 | 33 | 2024 |
| Bayesian optimization for chemical reactions J Guo, B Ranković, P Schwaller Chimia 77 (1/2), 31-38, 2023 | 28 | 2023 |
| Bayesian optimisation for additive screening and yield improvements in chemical reactions–beyond one-hot encoding B Ranković, RR Griffiths, HB Moss, P Schwaller | 8 | 2023 |
| Bayesian optimisation for additive screening and yield improvements–beyond one-hot encoding B Ranković, RR Griffiths, HB Moss, P Schwaller Digital Discovery 3 (4), 654-666, 2024 | 4 | 2024 |
| BoChemian: Large language model embeddings for Bayesian optimization of chemical reactions B Ranković, P Schwaller NeurIPS 2023 Workshop on Adaptive Experimental Design and Active Learning in …, 2023 | 3 | 2023 |
| GAUCHE: A library for Gaussian processes and Bayesian optimisation in chemistry RR Griffiths, L Klarner, A Ravuri, S Truong, B Rankovic, Y Du, A Jamasb, ... ICML 2022 Workshop on Adaptive Experimental Design and Active Learning in …, 2022 | 2 | 2022 |
| Automated Essay Scoring in Foreign Language Students Based on Deep Contextualised Word Representations B Ranković, S Smirnow, M Jaggi, M Tomasik LAK20, 2020 | 1 | 2020 |
| Digital Discovery B Ranković, P Schwaller | | 2024 |
| 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon A Imran, M Schwarting, KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, ... RSC, 2023 | | 2023 |
| Supplementary Information–Bayesian Optimization for Chemical Reactions J Guo, B Rankovic, P Schwaller | | |
| LIAC LMG Brey, J Chen, SFY D'Ascoli, A Delmonaco, J Guo, X Huang, ... | | |
| Group ID U14164 LMG Brey, J Chen, SFY D'Ascoli, A Delmonaco, J Guo, X Huang, ... | | |
