Jonathan Allen
0000-0002-4359-8263
Publication & Citation Trends
Publications
0 total
ChemBERTa-3: An Open Source Training Framework for Chemical Foundation Models
Cited by 5
Semantic Scholar
Protein-ligand binding affinity prediction using multi-instance learning with docking structures OA
Cited by 4
Semantic Scholar
SLAB: Simultaneous Labeling And Binding affinity prediction for protein-ligand structures
Cited by 0
Semantic Scholar
Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures OA
Cited by 1
Semantic Scholar
HDBind: encoding of molecular structure with hyperdimensional binary representations OA
Cited by 7
Semantic Scholar
Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning OA
Cited by 44
Semantic Scholar
FACET: A F RAGMENT -A WARE C ONFORMER E NSEMBLE T RANSFORMER
Cited by 0
Semantic Scholar
Research Topics
Computational Drug Discovery Methods
(43)
Genomics and Phylogenetic Studies
(21)
Protein Structure and Dynamics
(19)
Machine Learning in Materials Science
(17)
Nanowire Synthesis and Applications
(11)
Affiliations
Northwestern University
Lawrence Livermore National Laboratory
J. Craig Venter Institute
Johns Hopkins University
University of California, Merced