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Subarna Sasmal
Subarna Sasmal
Graduate Student, Department of Chemistry, New York University
Adresse e-mail validée de nyu.edu
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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
502023
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
92023
Do large language models know chemistry?
AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ...
82022
Quantifying Unbiased Conformational Ensembles from Biased Simulations Using ShapeGMM
S Sasmal, T Pal, GM Hocky, M McCullagh
Journal of Chemical Theory and Computation, 2024
12024
Good rates from bad coordinates: the exponential average time-dependent rate approach
N Mazzaferro, S Sasmal, P Cossio, GM Hocky
arXiv preprint arXiv:2403.10668, 2024
12024
Learning reaction coordinates for enhanced sampling directly using atomic positions
S Sasmal, M McCullagh, GM Hocky
Biophysical journal 122 (3), 335a, 2023
2023
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