Yashaswi Pathak

Presidency University — India

Computer Science · Physical Sciences

11h-index415citations27works6.52yr avg
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Research Topics

Computational Drug Discovery Methods(16), Machine Learning in Materials Science(15), Various Chemistry Research Topics(5), Advanced Chemical Physics Studies(2), Protein Structure and Dynamics(2)

Publications27 total

Multi-Class Mango Leaf Disease Diagnosis Using an Optimized Vision Transformer Model
2025
DeepSPInN – deep reinforcement learning for molecular structure prediction from infrared and <sup>13</sup> C NMR spectra
Digital Discovery·2024· 13 citedOpen Access
DeepSPInN - multimodal Deep learning for molecular Structure Prediction from Infrared and NMR spectra
2023· 1 citedOpen Access
ODP588 A Rare Case Of Infantile Transient Psuedohypoparathyrodism
Journal of the Endocrine Society·2022Open Access
ODP587 A Case of Rathke'S Cleft Cyst Presented With Central Diabetes Insipidus In A Young Female
Journal of the Endocrine Society·2022Open Access
158-LB: Effect of Vitamin D Replacement on Glycemic Status and Pregnancy Outcomes in Vitamin D–Deficient Subjects with Gestational Diabetes Mellitus
Diabetes·2022· 1 cited
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure
The Journal of Physical Chemistry Letters·2022· 32 cited
Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem
2021· 2 citedOpen Access
MEMES: Machine learning framework for Enhanced MolEcular Screening
2021Open Access
MEMES: Machine learning framework for Enhanced MolEcular Screening
2021Open Access
Towered Actor Critic For Handling Multiple Action Types In Reinforcement Learning For Drug Discovery
Proceedings of the AAAI Conference on Artificial Intelligence·2021· 6 citedOpen Access
Enhanced Sampling of Chemical Space for High Throughput Screening Applications using Machine Learning
2021· 4 citedOpen Access
Enhanced Sampling of Chemical Space for High Throughput Screening Applications using Machine Learning
2021· 3 citedOpen Access
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks
Journal of Chemical Information and Modeling·2021· 58 cited
MEMES: Machine learning framework for Enhanced MolEcular Screening
Chemical Science·2021· 38 citedOpen Access
Maximum Reward Formulation In Reinforcement Learning
arXiv (Cornell University)·2020· 6 citedOpen Access
Deep Learning Enabled Inorganic Material Generator
2020Open Access
Deep Learning Enabled Inorganic Material Generator
2020· 12 citedOpen Access
Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning
PolyPublie (École Polytechnique de Montréal)·2020· 52 citedOpen Access
Learning To Navigate The Synthetically Accessible Chemical Space Using\n Reinforcement Learning
arXiv (Cornell University)·2020· 43 citedOpen Access
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Frequent Co-authors

U. Deva Priyakumar(16), Sarvesh Mehta(11), Siddhartha Laghuvarapu(11), Girish Varma(5), Aaftaab Sethi(5), Sarath Chandar(4), Bhuvanesh Sridharan(4), Sai Krishna Gottipati(3), Boris Sattarov(3), Karandeep Singh Juneja(3), Masahiro Ehara(3), Mallika Alvala(3), Sufeng Niu(2), Haoran Wei(2), Shengchao Liu(2), Karam M. J. Thomas(2), Simon Blackburn(2), Connor W. Coley(2), Yoshua Bengio(2), Sriram Devata(2)