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    • 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
      2089130Updated Oct 16, 2024Oct 16, 2024
    • Uni-SMART

      Public
      Python
      MIT License
      32300Updated Oct 16, 2024Oct 16, 2024
    • dflow

      Public
      Python
      GNU Lesser General Public License v3.0
      413700Updated Oct 11, 2024Oct 11, 2024
    • Uni-pKa

      Public
      The official repository of Uni-pKa
      Python
      Apache License 2.0
      63230Updated Aug 21, 2024Aug 21, 2024
    • NAG2G

      Public
      Python
      GNU General Public License v3.0
      5920Updated Aug 10, 2024Aug 10, 2024
    • Uni-Dock

      Public
      Uni-Dock: a GPU-accelerated molecular docking program
      C++
      40188371Updated Aug 6, 2024Aug 6, 2024
    • Uni-Core

      Public
      an efficient distributed PyTorch framework
      Python
      MIT License
      32119166Updated Jul 18, 2024Jul 18, 2024
    • Python
      GNU Lesser General Public License v3.0
      21014Updated Jul 13, 2024Jul 13, 2024
    • 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
      1300Updated Jul 10, 2024Jul 10, 2024
    • uni-elf

      Public
      Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design
      0200Updated Jul 8, 2024Jul 8, 2024
    • TED-Gen

      Public
      Python
      Apache License 2.0
      0300Updated Jun 27, 2024Jun 27, 2024
    • Uni-Fold

      Public
      An open-source platform for developing protein models beyond AlphaFold.
      Python
      Apache License 2.0
      73373218Updated Jun 26, 2024Jun 26, 2024
    • bohrium openapi python sdk
      Python
      4200Updated May 23, 2024May 23, 2024
    • Uni-MOF

      Public
      Python
      MIT License
      72220Updated Mar 4, 2024Mar 4, 2024
    • Uni-Dock-Dev

      Public archive
      Uni-Dock: a GPU-accelerated molecular docking program
      C++
      40080Updated Feb 29, 2024Feb 29, 2024
    • Jupyter Notebook
      MIT License
      3600Updated May 10, 2023May 10, 2023
    • dpgen2

      Public
      Python
      26710Updated Mar 2, 2023Mar 2, 2023
    • Fast and memory-efficient exact attention
      C++
      BSD 3-Clause "New" or "Revised" License
      1.3k1000Updated Jan 29, 2023Jan 29, 2023
    • Go
      GNU Lesser General Public License v3.0
      1100Updated Sep 19, 2022Sep 19, 2022
    • .github

      Public
      0000Updated Sep 10, 2022Sep 10, 2022
    • Trainable AlphaFold implementation in JAX
      Python
      Apache License 2.0
      4615720Updated Aug 6, 2022Aug 6, 2022
    • Virtual Kubelet is an open source Kubernetes kubelet implementation.
      Go
      Apache License 2.0
      623000Updated Jul 19, 2022Jul 19, 2022
    • Kubernetes operator for interacting with HPC.
      Go
      Apache License 2.0
      28100Updated May 12, 2022May 12, 2022