Year |
Citation |
Score |
2023 |
White AD, Hocky GM, Gandhi HA, Ansari M, Cox S, Wellawatte GP, Sasmal S, Yang Z, Liu K, Singh Y, Peña Ccoa WJ. Assessment of chemistry knowledge in large language models that generate code. Digital Discovery. 2: 368-376. PMID 37065678 DOI: 10.1039/d2dd00087c |
0.397 |
|
2023 |
Wellawatte GP, Gandhi HA, Seshadri A, White AD. A Perspective on Explanations of Molecular Prediction Models. Journal of Chemical Theory and Computation. PMID 36972469 DOI: 10.1021/acs.jctc.2c01235 |
0.464 |
|
2021 |
Li Z, Wellawatte GP, Chakraborty M, Gandhi HA, Xu C, White AD. Correction: Graph neural network based coarse-grained mapping prediction. Chemical Science. 12: 11922. PMID 34659733 DOI: 10.1039/d1sc90186a |
0.622 |
|
2020 |
Li Z, Wellawatte GP, Chakraborty M, Gandhi HA, Xu C, White AD. Graph neural network based coarse-grained mapping prediction. Chemical Science. 11: 9524-9531. PMID 34123175 DOI: 10.1039/d0sc02458a |
0.623 |
|
2020 |
Barrett R, Chakraborty M, Amirkulova D, Gandhi H, Wellawatte G, White A. HOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engine Journal of Open Source Software. 5: 2367. DOI: 10.21105/joss.02367 |
0.532 |
|
2020 |
Li Z, Wellawatte GP, Chakraborty M, Gandhi HA, Xu C, White AD. Graph neural network based coarse-grained mapping prediction Chemical Science. 11: 9524-9531. DOI: 10.1039/D0Sc02458A |
0.62 |
|
2020 |
Gandhi HA, Jakymiw S, Barrett R, Mahaseth H, White AD. Real-Time Interactive Simulation and Visualization of Organic Molecules Journal of Chemical Education. DOI: 10.1021/Acs.Jchemed.9B01161 |
0.444 |
|
2018 |
Barrett R, Gandhi HA, Naganathan A, Daniels D, Zhang Y, Onwunaka C, Luehmann A, White AD. Social and Tactile Mixed Reality Increases Student Engagement in Undergraduate Lab Activities Journal of Chemical Education. 95: 1755-1762. DOI: 10.1021/Acs.Jchemed.8B00212 |
0.461 |
|
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