8 citations · 8 across the 1 of their papers we have counts for
3 papers
HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations
Derek Jones, Jonathan E. Allen, Xiaohua Zhang +5
Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional m…
SurGBSA: Learning Representations From Molecular Dynamics Simulations
Derek Jones, Yue Yang, Felice C. Lightstone +3
Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the ar…
RapidOMS: FPGA-based Open Modification Spectral Library Searching with HD Computing
Sumukh Pinge, Weihong Xu, Wout Bittremieux +3
Mass spectrometry (MS) is essential for protein analysis but faces significant challenges with large datasets and complex post-translational modifications, resulting in difficultie…