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    33 repositories

    • Uni-Dock-Benchmarks

      Public
      0•0•0•0•Updated Feb 16, 2026Feb 16, 2026

    • UniParser-Tools

      Public
      Jupyter Notebook
      •0•6•0•0•Updated Feb 11, 2026Feb 11, 2026

    • Uni-Dock-Benchmarks-bak

      Public
      Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the Uni-Dock docking system.…
      Jupyter Notebook
      •
      Apache License 2.0
      •4•18•1•0•Updated Feb 11, 2026Feb 11, 2026

    • dflow

      Public
      Python
      •
      GNU Lesser General Public License v3.0
      •48•44•0•2•Updated Feb 9, 2026Feb 9, 2026

    • bohr-agent-sdk

      Public
      Python
      •15•13•2•0•Updated Feb 6, 2026Feb 6, 2026

    • Uni-Dock2

      Public
      GPU-accelerated molecular docking software: Uni-Dock 2
      C++
      •
      Apache License 2.0
      •18•48•3•0•Updated Feb 5, 2026Feb 5, 2026

    • ligandexplorer

      Public
      Python
      •0•0•0•0•Updated Feb 3, 2026Feb 3, 2026

    • Uni-GBSA

      Public
      An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
      Python
      •
      Apache License 2.0
      •23•132•19•0•Updated Jan 13, 2026Jan 13, 2026

    • Uni-Dock

      Public
      Uni-Dock: a GPU-accelerated molecular docking program
      dockingvirtualscreeningunidock
      C++
      •
      Apache License 2.0
      •57•278•46•3•Updated Dec 15, 2025Dec 15, 2025

    • bohrium-openapi-python-sdk

      Public
      bohrium openapi python sdk
      Python
      •12•3•0•0•Updated Nov 3, 2025Nov 3, 2025

    • Uni-FEP-Benchmarks

      Public
      Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.
      Python
      •
      Apache License 2.0
      •11•50•1•0•Updated Nov 3, 2025Nov 3, 2025

    • adk-python

      Public
      An open-source, code-first Python toolkit for building, evaluating, and deploying sophisticated AI agents with flexibility and control.
      Python
      •
      Apache License 2.0
      •3k•0•0•0•Updated Aug 13, 2025Aug 13, 2025

    • Uni-Core

      Public
      an efficient distributed PyTorch framework
      pytorchdistributed
      Python
      •
      MIT License
      •45•160•17•5•Updated Jul 19, 2025Jul 19, 2025

    • material-compute-agent

      Public
      Python
      •1•4•0•0•Updated May 28, 2025May 28, 2025

    • NAG2G

      Public
      Python
      •
      GNU General Public License v3.0
      •8•16•4•1•Updated May 25, 2025May 25, 2025

    • TED-Gen

      Public
      TED-GEN: a universal, efficient image generation framework for electron microscopy
      Jupyter Notebook
      •
      Apache License 2.0
      •2•10•0•0•Updated May 7, 2025May 7, 2025

    • Uni-3DAR

      Public
      Implementation of paper "Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens"
      machine-learning3d-modelsmolecular-dockinggenerative-ai
      Python
      •
      MIT License
      •16•143•2•0•Updated Apr 21, 2025Apr 21, 2025

    • Uni-pKa

      Public
      The official repository of Uni-pKa
      Python
      •
      Apache License 2.0
      •14•93•7•0•Updated Apr 1, 2025Apr 1, 2025

    • SARDiffuse

      Public
      Python
      •0•1•0•0•Updated Jan 29, 2025Jan 29, 2025

    • XtalNet

      Public
      Python
      •
      GNU General Public License v3.0
      •5•17•0•0•Updated Jan 6, 2025Jan 6, 2025

    • Uni-SMART

      Public
      Python
      •
      MIT License
      •7•52•1•0•Updated Oct 16, 2024Oct 16, 2024

    • deepmd-pytorch

      Public
      Deprecation - migrated to DeePMD-kit
      Python
      •
      GNU Lesser General Public License v3.0
      •2•10•1•4•Updated Jul 13, 2024Jul 13, 2024

    • uni-elf

      Public
      Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design
      0•5•1•0•Updated Jul 8, 2024Jul 8, 2024

    • Uni-Fold

      Public
      An open-source platform for developing protein models beyond AlphaFold.
      deep-learningprotein-structurepytorchalphafoldalphafold-multimer
      Python
      •
      Apache License 2.0
      •80•413•22•8•Updated Jun 26, 2024Jun 26, 2024

    • Uni-MOF

      Public
      Python
      •
      MIT License
      •7•36•5•0•Updated Mar 4, 2024Mar 4, 2024

    • Uni-Dock-Dev

      Public archive
      Uni-Dock: a GPU-accelerated molecular docking program
      C++
      •57•1•8•0•Updated Feb 29, 2024Feb 29, 2024

    • dpgen2

      Public
      Python
      •37•7•1•0•Updated Mar 2, 2023Mar 2, 2023

    • flash-attention

      Public
      Fast and memory-efficient exact attention
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •2.4k•10•0•0•Updated Jan 29, 2023Jan 29, 2023

    • dflow-extender

      Public
      Go
      •
      GNU Lesser General Public License v3.0
      •1•1•0•0•Updated Sep 19, 2022Sep 19, 2022

    • .github

      Public
      0•0•0•0•Updated Sep 10, 2022Sep 10, 2022