Akshat Shirish Zalte

5PUBLICATIONS
21CO-AUTHORS
Deep learningComputational chemistryFormal methods for softwareAdversarial machine learningFunctional materials
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Publications (5)

|Sep 14, 2026
Deep Learning Foundation Models for Low-Data Regimes from Classical Molecular Descriptors.

|Sep 06, 2026
QuantumPioneer: Scalable Generation of Quantum Chemical Data for Solution-Phase Hydrogen Transfer Reactions.

|Dec 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction.

David E Graff, Nathan K Morgan, Jackson W Burns

|Oct 08, 2025
RIGR: Resonance-Invariant Graph Representation for Molecular Property Prediction.

Akshat Shirish Zalte, Hao-Wei Pang, Anna C Doner

|Apr 08, 2023
A comprehensive modeling approach for polymorph selection in Lennard-Jones crystallization.

Pelin S Bulutoglu, Akshat S Zalte, Nandkishor K Nere

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Frequent Collaborators

4 joint publications

William H Green

3 joint publications

Jackson W Burns

2 joint publications

Connor W Coley

2 joint publications

Hao-Wei Pang