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    25 repositories

    • degrader-modeling

      Public
      Mathematical modeling of protein degrader binding equilibria.
      Python
      •0•1•1•0•Updated Oct 28, 2022Oct 28, 2022

    • kinetic-degradation

      Public
      This repo implements a kinetic proofreading model of protein degradation via the ubiquitin-proteasome system.
      Jupyter Notebook
      •1•2•4•0•Updated Oct 28, 2022Oct 28, 2022

    • geomm

      Public
      Mirror of main geomm repository. Simple and stupid library for strictly geometric operations (zero-knowledge of topology) common to computational biology and chemistry. https://adicksonlab.github.io/geomm/
      Python
      •
      MIT License
      •1•0•0•1•Updated Oct 21, 2022Oct 21, 2022

    • CDD_compound_registration_DegraderStudio

      Public archive
      Python
      •0•0•0•0•Updated Sep 23, 2022Sep 23, 2022

    • molpal

      Public
      active learning for accelerated high-throughput virtual screening
      Jupyter Notebook
      •
      MIT License
      •40•0•0•0•Updated Sep 12, 2022Sep 12, 2022

    • degrader-ternary-complex-prediction

      Public
      Repository for the paper
      Python
      •1•2•0•0•Updated Aug 23, 2022Aug 23, 2022

    • pyscreener

      Public
      pythonic interface to virtual screening software
      Python
      •
      MIT License
      •34•0•0•0•Updated Jun 16, 2022Jun 16, 2022

    • Solubility-ML

      Public
      Python
      •0•0•0•0•Updated Jun 14, 2022Jun 14, 2022

    • singularity-github-ci

      Public
      An example GitHub Action (CI) to build a Singularity container
      Singularity
      •28•2•0•0•Updated Apr 26, 2022Apr 26, 2022

    • alphafold

      Public
      Open source code for AlphaFold.
      Python
      •
      Apache License 2.0
      •2.4k•1•0•0•Updated Apr 22, 2022Apr 22, 2022

    • mdtraj

      Public
      An open library for the analysis of molecular dynamics trajectories
      C
      •
      G 10000 NU Lesser General Public License v2.1
      •288•0•0•0•Updated Apr 1, 2022Apr 1, 2022

    • PYGRayWrapper

      Public
      Python
      •0•0•0•0•Updated Mar 8, 2022Mar 8, 2022

    • wepy

      Public
      Weighted Ensemble simulation framework in Python
      Python
      •
      MIT License
      •20•0•0•0•Updated Mar 2, 2022Mar 2, 2022

    • ompi

      Public
      Open MPI main development repository
      C
      •
      Other
      •903•0•0•0•Updated Feb 7, 2022Feb 7, 2022

    • oddt

      Public
      Open Drug Discovery Toolkit
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •122•0•0•0•Updated Jan 17, 2022Jan 17, 2022

    • GeoMol

      Public
      Python
      •
      MIT License
      •41•0•0•0•Updated Jan 4, 2022Jan 4, 2022

    • pyslurm

      Public
      Python Interface to Slurm
      Cython
      •
      GNU General Public License v2.0
      •121•0•0•1•Updated Oct 25, 2021Oct 25, 2021

    • Graph_Neural_Net_Protein-Protein-Complexes

      Public
      Graph Neural Network (Convolution , Node Attention , Node+Edge Attention) to assess quality of protein-protein complexes.
      Jupyter Notebook
      •4•0•0•0•Updated Oct 15, 2021Oct 15, 2021

    • ParmEd

      Public
      Parameter/topology editor and molecular simulator
      Python
      •157•0•0•0•Updated Oct 5, 2021Oct 5, 2021

    • Schedule-Optimizer-GA

      Public
      Using Genetic Algorithm to generate optimized schedule of meetings within the organization
      Jupyter Notebook
      •0•0•0•0•Updated Aug 27, 2021Aug 27, 2021

    • diffnets

      Public
      Self-supervised neural nets to understand protein mutations
      Python
      •
      GNU Lesser General Public License v3.0
      •11•0•0•0•Updated Jul 13, 2021Jul 13, 2021

    • msmbuilder

      Public
      Statistical models for biomolecular dynamics
      Python
      •
      GNU Lesser General Public License v2.1
      •95•0•0•0•Updated Nov 17, 2020Nov 17, 2020

    • scsubmissions

      Public
      Python
      < 610F span>•0•0•0•0•Updated Jun 3, 2020Jun 3, 2020

    • biopython

      Public
      Official git repository for Biopython (converted from CVS)
      Python
      •
      Other
      •1.8k•0•0•0•Updated Jun 14, 2019Jun 14, 2019

    • gunpowder

      Public
      A library to facilitate machine learning on multi-dimensional images.
      Python
      •58•0•0•0•Updated Apr 1, 2019Apr 1, 2019
    0