Lars A Bratholm

5PUBLICATIONS
12CO-AUTHORS
Bioinformatic methods developmentSemi- and unsupervised learningDeep learningAdversarial machine learningTheoretical quantum chemistry
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Publications (5)

|Aug 05, 2024
Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering.

Michael J Bakker, Amina Gaffour, Martin Juhás

|Jul 20, 2021
A community-powered search of machine learning strategy space to find NMR property prediction models.

Lars A Bratholm, Will Gerrard, Brandon Anderson

|Mar 20, 2020
IMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy.

Will Gerrard, Lars A Bratholm, Martin J Packer

|Mar 21, 2019
Training Neural Nets To Learn Reactive Potential Energy Surfaces Using Interactive Quantum Chemistry in Virtual Reality.

Silvia Amabilino, Lars A Bratholm, Simon J Bennie

|Apr 29, 2017
Protein structure refinement using a quantum mechanics-based chemical shielding predictor.

Lars A Bratholm, Jan H Jensen

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Frequent Collaborators

3 joint publications

David R Glowacki

1 joint publications

Jan H Jensen

1 joint publications

Alain C Vaucher

1 joint publications

Markus Reiher