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    • JESTR1

      Public
      Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data
      Python
      MIT License
      0200Updated Nov 21, 2024Nov 21, 2024
    • This Github repository holds the supporting documents for the paper "Evaluation of search-enabled Pre-trained Large Language Models on retrieval tasks for the PubChem Database"
      0000Updated Oct 21, 2024Oct 21, 2024
    • BAM

      Public
      Biotransformation-based annotation method
      Python
      0400Updated Sep 24, 2024Sep 24, 2024
    • ESP

      Public
      ESP model
      Python
      MIT License
      0110Updated May 3, 2024May 3, 2024
    • Boost-RS

      Public
      Boosted Embeddings for Recommender Systems and its Application to Enzyme-Substrate Interaction Prediction
      Python
      MIT License
      2500Updated Mar 6, 2024Mar 6, 2024
    • PROXIMAL2

      Public
      PROXIMAL2 algorithm
      Python
      2500Updated Oct 9, 2023Oct 9, 2023
    • EPP

      Public
      Code for the paper "Enzyme Promiscuity Prediction using hierarchy-informed multi-label classification"
      Python
      31300Updated Aug 7, 2023Aug 7, 2023
    • ASAP-SML

      Public
      ASAP-SML: An Antibody Sequence Analysis Pipeline Using Statistical Testing and Machine Learning
      Jupyter Notebook
      MIT License
      31102Updated Jul 6, 2023Jul 6, 2023
    • GNN-SOM

      Public
      Site-of-Metabolsim prediction using Graph Neural Networks.
      Jupyter Notebook
      MIT License
      21500Updated Mar 30, 2023Mar 30, 2023
    • Python
      MIT License
      1000Updated Feb 8, 2023Feb 8, 2023
    • CSI

      Public
      Python
      MIT License
      1110Updated Dec 12, 2022Dec 12, 2022
    • MDFlow

      Public
      Python
      0000Updated Dec 30, 2020Dec 30, 2020
    • ELP

      Public
      Enzymatic Link Prediction
      Python
      0500Updated Aug 19, 2020Aug 19, 2020
    • PUMA

      Public
      Pathway Activity Analysis and Metabolite Annotation for Untargeted Metabolomics using Probabilistic Modeling
      Python
      0500Updated Nov 23, 2019Nov 23, 2019
    • gEFM

      Public
      C++
      Other
      0000Updated Aug 25, 2018Aug 25, 2018