| Assessment of chemistry knowledge in large language models that generate code AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ... Digital Discovery 2 (2), 368-376, 2023 | 84 | 2023 |
| Reaction coordinates for conformational transitions using linear discriminant analysis on positions S Sasmal, M McCullagh, GM Hocky Journal of chemical theory and computation 19 (14), 4427-4435, 2023 | 17 | 2023 |
| Do large language models know chemistry? AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ... | 10 | 2022 |
| Good rates from bad coordinates: the exponential average time-dependent rate approach N Mazzaferro, S Sasmal, P Cossio, GM Hocky Journal of chemical theory and computation 20 (14), 5901-5912, 2024 | 3 | 2024 |
| Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM S Sasmal, T Pal, GM Hocky, M McCullagh Journal of chemical theory and computation 20 (9), 3492-3502, 2024 | 1 | 2024 |
| Learning reaction coordinates for enhanced sampling directly using atomic positions S Sasmal, M McCullagh, GM Hocky Biophysical journal 122 (3), 335a, 2023 | | 2023 |
Glen HockyNew York University確認したメール アドレス: nyu.edu
