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    23 repositories

    • Uni-Dock-Benchmarks

      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. This repository is intended for use in continuous integration testing and for researchers seeking to compare docking results with established benchmarks.
      Python
      •
      Apache License 2.0
      •1•6•0•0•Updated Dec 24, 2024Dec 24, 2024

    • Uni-pKa

      Public
      The official repository of Uni-pKa
      Python
      •
      Apache License 2.0
      •7•41•3•0•Updated Dec 17, 2024Dec 17, 2024

    • dflow

      Public
      Python
      •
      GNU Lesser General Public License v3.0
      •42•40•0•0•Updated Dec 6, 2024Dec 6, 2024

    • 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
      •21•98•16•0•Updated Nov 6, 2024Nov 6, 2024

    • Uni-Core

      Public
      an efficient distributed PyTorch framework
      pytorchdistributed
      Python
      •
      MIT License
      •33•125•16•5•Updated Oct 24, 2024Oct 24, 2024

    • Uni-SMART

      Public
      Python
      •
      MIT License
      •4•31•0•0•Updated Oct 16, 2024Oct 16, 2024

    • NAG2G

      Public
      Python
      •
      GNU General Public License v3.0
      •7•11•2•1•Updated Aug 10, 2024Aug 10, 2024

    • Uni-Dock

      Public
      Uni-Dock: a GPU-accelerated molecular docking program
      dockingvirtualscreeningunidock
      C++
      •42•194•38•2•Updated Aug 6, 2024Aug 6, 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•2•0•0•Updated Jul 8, 2024Jul 8, 2024

    • TED-Gen

      Public
      Python
      •
      Apache License 2.0
      •0•3•0•0•Updated Jun 27, 2024Jun 27, 2024

    • Uni-Fold

      Public
      An open-source platform for developing protein models beyond AlphaFold.
      protein-structurealphafoldalphafold-multimerdeep-learningpytorch
      Python
      •
      Apache License 2.0
      •74•380•21•8•Updated Jun 26, 2024Jun 26, 2024

    • bohrium-openapi-python-sdk

      Public
      bohrium openapi python sdk
      Python
      •4•2•0•0•Updated May 23, 2024May 23, 2024

    • Uni-MOF

      Public
      Python
      •
      MIT License
      •7•24•2•0•Updated Mar 4, 2024Mar 4, 2024

    • Uni-Dock-Dev

      Public archive
      Uni-Dock: a GPU-accelerated molecular docking program
      C++
      •42•1•8•0•Updated Feb 29, 2024Feb 29, 2024

    • bohrium-notebook

      Public
      Jupyter Notebook
      •
      MIT License
      •3•6•0•0•Updated May 10, 2023May 10, 2023

    • dpgen2

      Public
      Python
      •29•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
      •1.4k•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

    • Uni-Fold-jax

      Public
      Trainable AlphaFold implementation in JAX
      jaxalphafold2deep-learning
      Python
      •
      Apache License 2.0
      •46•159•2•0•Updated Aug 6, 2022Aug 6, 2022

    • virtual-kubelet

      Public
      Virtual Kubelet is an open source Kubernetes kubelet implementation.
      Go
      •
      Apache License 2.0
      •624•0•0•0•Updated Jul 19, 2022Jul 19, 2022

    • wlm-operator

      Public
      Kubernetes operator for interacting with HPC.
      Go
      •
      Apache License 2.0
      •28•1•0•0•Updated May 12, 2022May 12, 2022