Mrunali Manjrekar

According to our database, Mrunali Manjrekar authored at least 6 papers between 2024 and 2026.

Collaborative distances:

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

2026

FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time.

Montgomery Bohde, Hongxuan Liu, Mrunali Manjrekar, Magdalena Lederbauer, Shuiwang Ji, Runzhong Wang, Connor W. Coley

CoRR, April, 2026

Generative structural elucidation from mass spectra as an iterative optimization problem.

Mrunali Manjrekar, Runzhong Wang, Samuel Goldman, Jenna C. Fromer, Connor W. Coley

CoRR, February, 2026

2025

Batched Bayesian Optimization by Maximizing the Probability of Including the Optimum.

Jenna C. Fromer, Runzhong Wang, Mrunali Manjrekar, Austin Tripp, José Miguel Hernández-Lobato, Connor W. Coley

J. Chem. Inf. Model., 2025

Neural Graph Matching Improves Retrieval Augmented Generation in Molecular Machine Learning.

Runzhong Wang, Rui-Xi Wang, Mrunali Manjrekar, Connor W. Coley

Proceedings of the Forty-second International Conference on Machine Learning, 2025

DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra.

Montgomery Bohde, Mrunali Manjrekar, Runzhong Wang, Shuiwang Ji, Connor W. Coley

Proceedings of the Forty-second International Conference on Machine Learning, 2025

2024

Batched Bayesian optimization with correlated candidate uncertainties.

Jenna C. Fromer, Runzhong Wang, Mrunali Manjrekar, Austin Tripp, José Miguel Hernández-Lobato, Connor W. Coley

CoRR, 2024