Diego E Kleiman

5PUBLICATIONS
4CO-AUTHORS
Dynamics, vibration and vibration controlEvolutionary computationBiological adaptationSemi- and unsupervised learning
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Publications (5)

|Sep 08, 2026
ESMDynamic: Fast and accurate prediction of protein dynamic contact maps from single sequences.

|Aug 20, 2026
AdaptivePy: a unified Python framework for adaptive sampling in molecular dynamics.

|Sep 02, 2025
ESMDynamic: Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences.

Diego E Kleiman, Jiangyan Feng, Zhengyuan Xue

|Dec 11, 2023
Adaptive Sampling Methods for Molecular Dynamics in the Era of Machine Learning.

Diego E Kleiman, Hassan Nadeem, Diwakar Shukla

|Apr 07, 2023
Active Learning of the Conformational Ensemble of Proteins Using Maximum Entropy VAMPNets.

Diego E Kleiman, Diwakar Shukla

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Frequent Collaborators

5 joint publications

Diwakar Shukla

1 joint publications

Jiangyan Feng

1 joint publications

Zhengyuan Xue

1 joint publications

Hassan Nadeem