publications

publication list.

2025

    2024

    1. eMOSAIC: Multi-modal Out-of-distribution Uncertainty Quantification Streamlines Large-scale Polypharmacology
      Amitesh Badkul, Li Xie, Shuo Zhang, and Lei Xie
      bioRxiv 2024
    2. Comparative study of DCNN and image processing based classification of chest X-rays for identification of COVID-19 patients using fine-tuning
      Amitesh Badkul, Inturi Vamsi, and Radhika Sudha
      Journal of Medical Engineering & Technology 2024

    2023

    1. End-to-end sequence-structure-function meta-learning predicts genome-wide chemical-protein interactions for dark proteins
      Tian Cai, Li Xie, Shuo Zhang, Muge Chen, Di He, Amitesh Badkul, Yang Liu, and 4 more authors
      PLOS Computational Biology 2023
    2. TrustAffinity: accurate, reliable and scalable out-of-distribution protein-ligand binding affinity prediction using trustworthy deep learning
      Amitesh Badkul, Li Xie, Shuo Zhang, and Lei Xie
      NeurIPS 2023 Workshop on New Frontiers of AI for Drug Discovery and Development & AAAI 2024 Workshop on LLMs4Bio 2023

    2022

    1. RNN-driven Approaches to Self-healing Compound Synthesis
      Amitesh Badkul, and Ashif Iquebal
      2022