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    12 repositories

    • pytorch_geometric

      Public
      Graph Neural Network Library for PyTorch
      Python
      •
      MIT License
      •3.7k•0•0•0•Updated Jul 19, 2023Jul 19, 2023

    • pyGAT

      Public
      Pytorch implementation of the Graph Attention Network model by Veličković et. al (2017, https://arxiv.org/abs/1710.10903)
      Python
      •
      MIT License
      •691•0•0•0•Updated Jul 6, 2023Jul 6, 2023

    • Monocle

      Public
      Monocle is a tool for monoisotopic peak and accurate precursor m/z detection in shotgun proteomics experiments.
      C#
      •6•0•0•0•Updated May 16, 2023May 16, 2023

    • alphafold

      Public
      Open source code for AlphaFold.
      Python
      •
      Apache License 2.0
      •2.3k•0•0•0•Updated Apr 13, 2023Apr 13, 2023

    • alphafold_split

      Public
      Open source code for AlphaFold, splitting MSA and prediction
      Python
      •
      Apache License 2.0
      •2.3k•0•0•0•Updated Apr 12, 2023Apr 12, 2023

    • drug-sniffer

      Public
      Sniffing out new drugs
      HTML
      •
      BSD 3-Clause "New" or "Revised" License
      •9•0•0•0•Updated Jan 28, 2023Jan 28, 2023

    • MSstatsTMT

      Public
      R-based package for detecting differentially abundant proteins in shotgun mass spectrometry-based proteomic experiments with tandem mass tag (TMT) labeling
      R
      •13•0•0•0•Updated Jan 26, 2023Jan 26, 2023

    • aws-parallelcluster-relion

      Public
      Relion 4.0 on AWS ParallelCluster 3.3.1 for CryoEM
      Shell
      •
      Apache License 2.0
      •3•3•0•0•Updated Dec 13, 2022Dec 13, 2022

    • proteinfold

      Public
      UNDER CONSTRUCTION: Protein 3D structure prediction pipeline
      Groovy
      •
      MIT License
      •37•0•0•0•Updated Apr 19, 2022Apr 19, 2022

    • DockQ

      Public
      DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
      Python
      •
      GNU General Public License v3.0
      •50•0•0•0•Updated Apr 7, 2022Apr 7, 2022

    • hsm

      Public
      Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."
      Python
      •
      MIT License
      •21•0•0•0•Updated Jan 26, 2022Jan 26, 2022

    • perses

      Public
      Experiments with expanded ensembles to explore chemical space
      Python
      •
      MIT License
      •51•0•0•0•Updated Oct 28, 2021Oct 28, 2021