Rishal Aggarwal

According to our database, Rishal Aggarwal authored at least 7 papers between 2021 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

GNINA 1.3: the next increment in molecular docking with deep learning.

Andrew T. McNutt, Yanjing Li, Rocco Meli, Rishal Aggarwal, David Ryan Koes

J. Cheminformatics, December, 2025

BoltzNCE: Learning Likelihoods for Boltzmann Generation with Stochastic Interpolants and Noise Contrastive Estimation.

Rishal Aggarwal, Jacky Chen, Nicholas M. Boffi, David Ryan Koes

CoRR, July, 2025

2024

BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening.

Michael Brocidiacono, Paul G. Francoeur, Rishal Aggarwal, Konstantin I. Popov, David Ryan Koes, Alexander Tropsha

J. Chem. Inf. Model., 2024

2022

MolGPT: Molecular Generation Using a Transformer-Decoder Model.

Viraj Bagal, Rishal Aggarwal, P. K. Vinod, U. Deva Priyakumar

J. Chem. Inf. Model., 2022

DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks.

Rishal Aggarwal, Akash Gupta, Vineeth R. Chelur, C. V. Jawahar, U. Deva Priyakumar

J. Chem. Inf. Model., 2022

2021

GNINA 1.0: molecular docking with deep learning.

Andrew T. McNutt, Paul G. Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes

J. Cheminformatics, 2021

APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design.

Rishal Aggarwal, Akash Gupta, U. Deva Priyakumar

CoRR, 2021