15 citations · 46 across the 11 of their papers we have counts for
11 papers
MegaFold: Efficient Training of Next-Generation 3D Attention Protein Models on Cross-Platform GPUs
Hoa La, Ahan Gupta, Alex Morehead +2
Recent advances in biomolecular modeling have been catalyzed by models such as AlphaFold3 (AF3), which introduce science-informed changes to the transformer architecture. Unlike tr…
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
Alex Morehead, Jianlin Cheng
Powerful generative AI models of protein-ligand structure have recently been proposed, but few of these methods support both flexible protein-ligand docking and affinity estimation…
Geometry-Complete Diffusion for 3D Molecule Generation and Optimization
Alex Morehead, Jianlin Cheng
Denoising diffusion probabilistic models (DDPMs) have pioneered new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks rang…
Geometry-Complete Perceptron Networks for 3D Molecular Graphs
Alex Morehead, Jianlin Cheng
The field of geometric deep learning has had a profound impact on the development of innovative and powerful graph neural network architectures. Disciplines such as computer vision…
DRLComplex: Reconstruction of protein quaternary structures using deep reinforcement learning
Elham Soltanikazemi, Raj S. Roy, Farhan Quadir +3
Predicted inter-chain residue-residue contacts can be used to build the quaternary structure of protein complexes from scratch. However, only a small number of methods have been de…
EGR: Equivariant Graph Refinement and Assessment of 3D Protein Complex Structures
Alex Morehead, Xiao Chen, Tianqi Wu +2
Protein complexes are macromolecules essential to the functioning and well-being of all living organisms. As the structure of a protein complex, in particular its region of interac…
DProQ: A Gated-Graph Transformer for Protein Complex Structure Assessment
Xiao Chen, Alex Morehead, Jian Liu +1
Proteins interact to form complexes to carry out essential biological functions. Computational methods have been developed to predict the structures of protein complexes. However,…
A Region-Based Deep Learning Approach to Automated Retail Checkout
Maged Shoman, Armstrong Aboah, Alex Morehead +3
Automating the product checkout process at conventional retail stores is a task poised to have large impacts on society generally speaking. Towards this end, reliable deep learning…
Semi-Supervised Graph Learning Meets Dimensionality Reduction
Alex Morehead, Watchanan Chantapakul, Jianlin Cheng
Semi-supervised learning (SSL) has recently received increased attention from machine learning researchers. By enabling effective propagation of known labels in graph-based deep le…
Geometric Transformers for Protein Interface Contact Prediction
Alex Morehead, Chen Chen, Jianlin Cheng
Computational methods for predicting the interface contacts between proteins come highly sought after for drug discovery as they can significantly advance the accuracy of alternati…
DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction
Alex Morehead, Chen Chen, Ada Sedova +1
How and where proteins interface with one another can ultimately impact the proteins' functions along with a range of other biological processes. As such, precise computational met…