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Laghuvarapu, Siddhartha
15  results:
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1

DeepSPInN – deep reinforcement learning for molecular struc..:

Devata, Sriram ; Sridharan, Bhuvanesh ; Mehta, Sarvesh...
Digital Discovery.  3 (2024)  4 - p. 818-829 , 2024
Link: https://doi.org/10.1039/..
 
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2

MolOpt: Autonomous Molecular Geometry Optimization Using Mu..:

Modee, Rohit ; Mehta, Sarvesh ; Laghuvarapu, Siddhartha.
The Journal of Physical Chemistry B.  127 (2023)  48 - p. 10295-10303 , 2023
Link: https://doi.org/10.1021/..
 
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3

Streamlining pipeline efficiency: a novel model-agnostic te..:

Viswanathan, Karthik ; Goel, Manan ; Laghuvarapu, Siddhartha..
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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4

MoleGuLAR: Molecule Generation Using Reinforcement Learning..:

Goel, Manan ; Raghunathan, Shampa ; Laghuvarapu, Siddhartha.
Journal of Chemical Information and Modeling.  61 (2021)  12 - p. 5815-5826 , 2021
Link: https://doi.org/10.1021/..
 
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5

Benchmark study on deep neural network potentials for small..:

Modee, Rohit ; Laghuvarapu, Siddhartha ; Priyakumar, U. Deva
Journal of Computational Chemistry.  43 (2021)  5 - p. 308-318 , 2021
Link: https://doi.org/10.1002/..
 
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6

MEMES: Machine learning framework for Enhanced MolEcular Sc..:

Mehta, Sarvesh ; Laghuvarapu, Siddhartha ; Pathak, Yashaswi...
Chemical Science.  12 (2021)  35 - p. 11710-11721 , 2021
Link: https://doi.org/10.1039/..
 
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7

BAND NN: A Deep Learning Framework for Energy Prediction an..:

Laghuvarapu, Siddhartha ; Pathak, Yashaswi ; Priyakumar, U. Deva
Journal of Computational Chemistry.  41 (2019)  8 - p. 790-799 , 2019
Link: https://doi.org/10.1002/..
 
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8

Streamlining pipeline efficiency: a novel model-agnostic te..:

Viswanathan, Karthik ; Goel, Manan ; Laghuvarapu, Siddhartha..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10686981/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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9

Molecular De Novo Design through Transformer-based Reinforc..:

Xu, Pengcheng ; Feng, Tao ; Fu, Tianfan..
http://arxiv.org/abs/2310.05365.  , 2023
Link: http://arxiv.org/abs/231..
 
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10

Conformal Drug Property Prediction with Density Estimation ..:

Laghuvarapu, Siddhartha ; Lin, Zhen ; Sun, Jimeng
http://arxiv.org/abs/2310.12033.  , 2023
Link: http://arxiv.org/abs/231..
 
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11

MEMES: Machine learning framework for Enhanced MolEcular Sc..:

Mehta, Sarvesh ; Laghuvarapu, Siddhartha ; Pathak, Yashaswi...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8442698/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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12

MolOpt: Autonomous Molecular Geometry Optimization Using Mu..:

Rohit Modee ; Sarvesh Mehta ; Siddhartha Laghuvarapu.
doi:10.1021/acs.jpcb.3c04771.s001.  , 2023
Link: https://doi.org/10.1021/..
 
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13

Streamlining pipeline efficiency: a novel model-agnostic te..:

Karthik Viswanathan ; Manan Goel ; Siddhartha Laghuvarapu..
https://doi.org/10.1038/s41598-023-42952-y.  , 2023
Link: https://doi.org/10.1038/..
 
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14

Enhanced Sampling of Chemical Space for High Throughput Scr..:

Sarvesh Mehta (7844992) ; Siddhartha Laghuvarapu (7339583) ; Yashaswi Pathak (7106861)...
https://figshare.com/articles/preprint/Enhanced_Sampling_of_Chemical_Space_for_High_Throughput_Screening_Applications_using_Machine_Learning/14139275.  , 2021
Link: https://doi.org/10.26434..
 
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15

MoleGuLAR: Molecule Generation Using Reinforcement Learning..:

Manan Goel (11796623) ; Shampa Raghunathan (1736623) ; Siddhartha Laghuvarapu (11796626).
https://figshare.com/articles/journal_contribution/MoleGuLAR_Molecule_Generation_Using_Reinforcement_Learning_with_Alternating_Rewards/17129063.  , 1753
Link: https://doi.org/10.1021/..
 
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