Joshua A. Rackers

According to our database, Joshua A. Rackers authored at least 9 papers between 2016 and 2025.

Collaborative distances:

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

2025

Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning.

Patricia Suriana, Joshua A. Rackers, Ewa M. Nowara, Pedro O. Pinheiro, John M. Nicoloudis, Vishnu Sresht

CoRR, November, 2025

Do we need equivariant models for molecule generation?

Ewa M. Nowara, Joshua A. Rackers, Patricia Suriana, Pan Kessel, Max Shen, Andrew Martin Watkins, Michael Maser

CoRR, July, 2025

Strain Problems Got You in a Twist? Try StrainRelief: A Quantum-Accurate Tool for Ligand Strain Calculations.

Ewan R. S. Wallace, Nathan C. Frey, Joshua A. Rackers

J. Chem. Inf. Model., 2025

2024

JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling.

Ameya Daigavane, Bodhi P. Vani, Saeed Saremi, Joseph Kleinhenz, Joshua A. Rackers

CoRR, 2024

On the design space between molecular mechanics and machine learning force fields.

Yuanqing Wang, Kenichiro Takaba, Michael S. Chen, Marcus Wieder, Yuzhi Xu, Tong Zhu, John Z. H. Zhang, Arnav Nagle, Kuang Yu, Xinyan Wang, Daniel J. Cole, Joshua A. Rackers, Kyunghyun Cho, Joe G. Greener, Peter K. Eastman, Stefano Martiniani, Mark E. Tuckerman

CoRR, 2024

2023

A recipe for cracking the quantum scaling limit with machine learned electron densities.

Joshua A. Rackers, Lucas Tecot, Mario Geiger, Tess E. Smidt

Mach. Learn. Sci. Technol., March, 2023

3D molecule generation by denoising voxel grids.

Pedro O. Pinheiro, Joshua A. Rackers, Joseph Kleinhenz, Michael Maser, Omar Mahmood, Andrew M. Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

Hierarchical Learning in Euclidean Neural Networks.

Joshua A. Rackers, Pranav Rao

CoRR, 2022

2016

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.

Christophe Narth, Louis Lagardère, Étienne Polack, Nohad Gresh, Qiantao Wang, David R. Bell, Joshua A. Rackers, Jay W. Ponder, Pengyu Y. Ren, Jean-Philip Piquemal

J. Comput. Chem., 2016