Muhammed Shuaibi
Carnegie Mellon University
H-index: 12
North America-United States
Top articles of Muhammed Shuaibi
Chemical Properties from Graph Neural Network-Predicted Electron Densities
The Journal of Physical Chemistry C
2023/11/27
Muhammed Shuaibi
H-Index: 3
AdsorbML: a leap in efficiency for adsorption energy calculations using generalizable machine learning potentials
npj Computational Materials
2023/9/22
AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification
Journal of Open Source Software
2023/7/26
The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts
ACS Catalysis
2023/2/16
Spherical channels for modeling atomic interactions
Advances in Neural Information Processing Systems
2022/12/6
Adsorbml: Accelerating adsorption energy calculations with machine learning
arXiv e-prints
2022/11
Open challenges in developing generalizable large-scale machine-learning models for catalyst discovery
ACS Catalysis
2022/7/5
Muhammed Shuaibi
H-Index: 3
Aini Palizhati
H-Index: 3
Nima Shoghi
H-Index: 2
Abhishek Das
H-Index: 4
Brandon Wood
H-Index: 8
Transfer learning using attentions across atomic systems with graph neural networks (TAAG)
The Journal of Chemical Physics
2022/5/14
Gemnet-oc: developing graph neural networks for large and diverse molecular simulation datasets
Transactions on Machine Learning Research
2022/9
Generalizable Machine Learning Models for Electrocatalyst Discovery
2022
Muhammed Shuaibi
H-Index: 3
How do graph networks generalize to large and diverse molecular systems
arXiv preprint arXiv
2022
Forcenet: A graph neural network for large-scale quantum calculations
arXiv preprint arXiv:2103.01436
2021/3/2
Weihua Hu
H-Index: 11
Muhammed Shuaibi
H-Index: 3
Abhishek Das
H-Index: 4
Jure Leskovec
H-Index: 103
Devi Parikh
H-Index: 59
The Open Catalyst Challenge 2021: Competition Report.
2021
Abhishek Das
H-Index: 4
Muhammed Shuaibi
H-Index: 3
Aini Palizhati
H-Index: 3
Devi Parikh
H-Index: 59
Yu Shi
H-Index: 17
Di He
H-Index: 2
Rotation invariant graph neural networks using spin convolutions
arXiv preprint arXiv:2106.09575
2021/6/17
Muhammed Shuaibi
H-Index: 3
Abhishek Das
H-Index: 4
Open catalyst 2020 (OC20) dataset and community challenges
Acs Catalysis
2021/5/4
Enabling robust offline active learning for machine learning potentials using simple physics-based priors
Machine Learning: Science and Technology
2020/12/29
Muhammed Shuaibi
H-Index: 3
Saurabh Sivakumar
H-Index: 1
An introduction to electrocatalyst design using machine learning for renewable energy storage
arXiv preprint arXiv:2010.09435
2020/10/14
Co-Authors
