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    40 repositories

    • images

      Public
      Dockerfile
      •0•0•0•0•Updated May 4, 2026May 4, 2026

    • gscreen

      Public
      Python
      •
      GNU General Public License v2.0
      •0•1•0•0•Updated Apr 30, 2026Apr 30, 2026

    • nurikit

      Public
      *The* fundamental software platform for chem- and bio-informatics
      C++
      •
      Apache License 2.0
      •6•8•11•0•Updated Apr 28, 2026Apr 28, 2026

    • gmol-base

      Public
      Basic components of GalaxyMol
      Python
      •
      Apache License 2.0
      •1•0•2•2•Updated Apr 22, 2026Apr 22, 2026

    • ai-cosci-all

      Public
      ai coscientist toy project
      Python
      •2•1•0•4•Updated Apr 21, 2026Apr 21, 2026

    • seoklab.github.io

      Public
      A modern seoklab homepage
      SCSS
      •
      Creative Commons Attribution Share Alike 4.0 International
      •964•0•0•0•Updated Apr 16, 2026Apr 16, 2026

    • boltz

      Public
      Official repository for the Boltz-1 biomolecular interaction model
      Python
      •
      MIT License
      •808•0•0•1•Updated Mar 26, 2026Mar 26, 2026

    • galign

      Public
      C++
      •
      GNU Affero General Public License v3.0
      •0•1•0•0•Updated Feb 19, 2026Feb 19, 2026

    • cdock_dataset

      Public
      Covalent ligand benchmark dataset used in GalaxyCDock
      Python
      •0•1•0•0•Updated Feb 18, 2026Feb 18, 2026

    • T-SCAPE

      Public
      Robust Prediction of T-cell Epitope Immunogenicity using Multi-domain adversarial Learning
      Python
      •
      Creative Commons Zero v1.0 Universal
      •3•9•1•2•Updated Feb 15, 2026Feb 15, 2026

    • design-test

      Public
      Python
      •1•0•6•0•Updated Feb 10, 2026Feb 10, 2026

    • structure-study

      Public
      Python
      •1•0•29•0•Updated Feb 10, 2026Feb 10, 2026

    • openfold

      Public
      Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
      Python
      •
      Apache License 2.0
      •671•0•0•0•Updated Feb 6, 2026Feb 6, 2026

    • shared-hooks

      Public
      Shell
      •
      MIT License
      •0•0•0•0•Updated Feb 5, 2026Feb 5, 2026

    • LigandMPNN

      Public
      A Seoklab-flavoured version of LigandMPNN
      Python
      •
      MIT License
      •134•0•0•2•Updated Jan 13, 2026Jan 13, 2026

    • SHARP

      Public
      Generating synthesizable molecules via fragment-based hierarchical action-space reinforcement learning for pareto optimization
      Python
      •
      MIT License
      •2•3•0•0•Updated Aug 4, 2025Aug 4, 2025

    • SurfDock

      Public
      SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
      Python
      •
      MIT License
      •31•0•0•0•Updated Jul 10, 2025Jul 10, 2025

    • PyMesh

      Public
      Geometry Processing Library for Python
      C++
      •381•0•0•0•Updated Jul 10, 2025Jul 10, 2025

    • kidds-lab

      Public
      Python
      •0•0•0•0•Updated Jul 2, 2025Jul 2, 2025

    • RoseTTAFold-All-Atom

      Public
      Python
      •
      Other
      •142•1•0•0•Updated Apr 8, 2025Apr 8, 2025

    • alphafold

      Public
      A seoklab-flavored version of AlphaFold2.
      Python
      •
      Apache License 2.0
      •2.6k•0•0•0•Updated Mar 7, 2025Mar 7, 2025

    • MolProbity

      Public
      Protein and nucleic acid validation service
      Perl
      •
      Other
      •37•0•0•0•Updated Mar 5, 2025Mar 5, 2025

    • bioemu

      Public
      Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning
      Python
      •
      MIT License
      •133•0•0•0•Updated Mar 5, 2025Mar 5, 2025

    • ColabFold

      Public
      For running ColabFold locally on Seoklab cluster
      Jupyter Notebook
      •
      MIT License
      •715•0•0•0•Updated Mar 5, 2025Mar 5, 2025

    • Vina-GPU-2.1

      Public
      Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
      C++
      •
      Apache License 2.0
      •38•0•0•0•Updated Jan 23, 2025Jan 23, 2025

    • Merizo

      Public
      Fast and accurate protein domain segmentation using Invariant Point Attention
      Python
      •
      GNU General Public License v3.0
      •7•0•0•1•Updated Jan 2, 2025Jan 2, 2025

    • colab_gd_dl

      Public
      Python
      •8•0•0•0•Updated Dec 30, 2024Dec 30, 2024

    • galaxydock_dl

      Public
      galaxydock_dl for public
      Fortran
      •
      MIT License
      •0•11•0•0•Updated Dec 22, 2024Dec 22, 2024

    • chai-lab

      Public
      Chai-1, SOTA model for biomolecular structure prediction
      Python
      •
      Apache License 2.0
      •268•0•1•1•Updated Dec 19, 2024Dec 19, 2024

    • CSearch

      Public
      CSearch: Chemical Space Search via Virtual Synthesis and Global Optimization
      global-optimizationcomputer-aided-drug-designchemical-space-search
      global-optimizationcomputer-aided-drug-designchemical-space-searchvirtual-synthesis
      Python
      •
      MIT License
      •1•4•1•0•Updated Oct 18, 2024Oct 18, 2024
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