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Rishal Aggarwal

Showing results (1-10 of 11) with videos related to

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Research Square|October 14, 2024
PharmRL: Pharmacophore elucidation with Deep Geometric Reinforcement LearningRishal Aggarwal, David R Koes
BMC Biology|December 30, 2024
PharmRL: pharmacophore elucidation with deep geometric reinforcement learningRishal Aggarwal, David R Koes
Arxiv|June 5, 2026
Scalable Inference-Time Annealing with Surrogate Likelihood EstimatorsDaniel Peñaherrera, Rishal Aggarwal, David Ryan Koes
Arxiv|September 29, 2025
BoltzNCE: Learning Likelihoods for Boltzmann Generation with Stochastic Interpolants and Noise Contrastive EstimationRishal Aggarwal, Jacky Chen, Nicholas M Boffi, et al.
ACS Omega|January 23, 2023
Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data SetsGanesh Chandan Kanakala, Rishal Aggarwal, Divya Nayar, et al.
Journal of Chemical Information and Modeling|October 25, 2021
MolGPT: Molecular Generation Using a Transformer-Decoder ModelViraj Bagal, Rishal Aggarwal, P K Vinod, et al.
Journal of Chemical Information and Modeling|August 10, 2021
DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural NetworksRishal Aggarwal, Akash Gupta, Vineeth Chelur, et al.
Frontiers in Bioinformatics|September 24, 2025
PharmacoForge: pharmacophore generation with diffusion modelsEmma L Flynn, Riya Shah, Ian Dunn, et al.
Journal of Cheminformatics|March 2, 2025
GNINA 1.3: the next increment in molecular docking with deep learningAndrew T McNutt, Yanjing Li, Rocco Meli, et al.
Journal of Chemical Information and Modeling|December 19, 2023
BigBind: Learning from Nonstructural Data for Structure-Based Virtual ScreeningMichael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Research Square|October 14, 2024
PharmRL: Pharmacophore elucidation with Deep Geometric Reinforcement LearningRishal Aggarwal, David R Koes
BMC Biology|December 30, 2024
PharmRL: pharmacophore elucidation with deep geometric reinforcement learningRishal Aggarwal, David R Koes
Arxiv|June 5, 2026
Scalable Inference-Time Annealing with Surrogate Likelihood EstimatorsDaniel Peñaherrera, Rishal Aggarwal, David Ryan Koes
Arxiv|September 29, 2025
BoltzNCE: Learning Likelihoods for Boltzmann Generation with Stochastic Interpolants and Noise Contrastive EstimationRishal Aggarwal, Jacky Chen, Nicholas M Boffi, et al.
ACS Omega|January 23, 2023
Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data SetsGanesh Chandan Kanakala, Rishal Aggarwal, Divya Nayar, et al.
Journal of Chemical Information and Modeling|October 25, 2021
MolGPT: Molecular Generation Using a Transformer-Decoder ModelViraj Bagal, Rishal Aggarwal, P K Vinod, et al.
Journal of Chemical Information and Modeling|August 10, 2021
DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural NetworksRishal Aggarwal, Akash Gupta, Vineeth Chelur, et al.
Frontiers in Bioinformatics|September 24, 2025
PharmacoForge: pharmacophore generation with diffusion modelsEmma L Flynn, Riya Shah, Ian Dunn, et al.
Journal of Cheminformatics|March 2, 2025
GNINA 1.3: the next increment in molecular docking with deep learningAndrew T McNutt, Yanjing Li, Rocco Meli, et al.
Journal of Chemical Information and Modeling|December 19, 2023
BigBind: Learning from Nonstructural Data for Structure-Based Virtual ScreeningMichael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.
Pageof 2