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Prudencio Tossou
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8
Implicit Delta Learning of High Fidelity Neural Network Potentials
8 December 2024 by
Stephan Thaler
and
others
Chemical Physics
,
Machine Learning
OpenQDC: Open Quantum Data Commons
29 November 2024 by
Cristian Gabellini
and
others
at
University of Wisconsin-Madison
Chemical Physics
,
Machine Learning
Gotta be SAFE: A New Framework for Molecular Design
10 December 2023 by
Emmanuel Noutahi
and
others
Machine Learning
,
Biomolecules
Role of Structural and Conformational Diversity for Machine Learning Potentials
30 October 2023 by
Nikhil Shenoy
and
others
Chemical Physics
,
Machine Learning
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets
18 October 2023 by
Dominique Beaini
and
others
Machine Learning
Real-World Molecular Out-Of-Distribution: Specification and Investigation
26 July 2023 by
Prudencio Tossou
and
others
at
Université Laval
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
3D Infomax improves GNNs for Molecular Property Prediction
27 November 2021 by
Hannes Stärk
and
others
Machine Learning
,
Artificial Intelligence
Adaptive Deep Kernel Learning
11 December 2020 by
Prudencio Tossou
and
others
Machine Learning
Geodesics in fibered latent spaces: A geometric approach to learning correspondences between conditions
24 May 2020 by
Tariq Daouda
and
others
Machine Learning
,
Differential Geometry
Towards Interpretable Molecular Graph Representation Learning
30 January 2020 by
Emmanuel Noutahi
and
others
Machine Learning
,
Biomolecules
This is an AI-generated summary
Key points
Topics
Machine Learning
Biomolecules
Chemical Physics
Theoretical and Computational Chemistry
Biological and Medicinal Chemistry
Drug Discovery and Drug Delivery Systems
Computational Chemistry and Modeling
Artificial Intelligence
Differential Geometry
Genomics
