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    • TED-Gen

      Public
      Python
      Apache License 2.0
      1800Updated Feb 28, 2025Feb 28, 2025
    • Uni-Core

      Public
      an efficient distributed PyTorch framework
      Python
      MIT License
      34131165Updated Feb 25, 2025Feb 25, 2025
    • Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.
      Python
      Apache License 2.0
      4710Updated Feb 24, 2025Feb 24, 2025
    • 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
      1810Updated Feb 10, 2025Feb 10, 2025
    • Python
      0000Updated Jan 29, 2025Jan 29, 2025
    • Uni-Dock

      Public
      Uni-Dock: a GPU-accelerated molecular docking program
      C++
      43203391Updated Jan 25, 2025Jan 25, 2025
    • dflow

      Public
      Python
      GNU Lesser General Public License v3.0
      424000Updated Jan 15, 2025Jan 15, 2025
    • XtalNet

      Public
      Python
      GNU General Public License v3.0
      0900Updated Jan 6, 2025Jan 6, 2025
    • Uni-pKa

      Public
      The official repository of Uni-pKa
      Python
      Apache License 2.0
      74350Updated Dec 17, 2024Dec 17, 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
      21102160Updated Nov 6, 2024Nov 6, 2024
    • Uni-SMART

      Public
      Python
      MIT License
      43510Updated Oct 16, 2024Oct 16, 2024
    • NAG2G

      Public
      Python
      GNU General Public License v3.0
      81331Updated Aug 10, 2024Aug 10, 2024
    • Deprecation - migrated to DeePMD-kit
      Python
      GNU Lesser General Public License v3.0
      21014Updated Jul 13, 2024Jul 13, 2024
    • uni-elf

      Public
      Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design
      0300Updated Jul 8, 2024Jul 8, 2024
    • Uni-Fold

      Public
      An open-source platform for developing protein models beyond AlphaFold.
      Python
      Apache License 2.0
      76380218Updated Jun 26, 2024Jun 26, 2024
    • bohrium openapi python sdk
      Python
      4200Updated May 23, 2024May 23, 2024
    • Uni-MOF

      Public
      Python
      MIT License
      72420Updated Mar 4, 2024Mar 4, 2024
    • Uni-Dock-Dev

      Public archive
      Uni-Dock: a GPU-accelerated molecular docking program
      C++
      43180Updated Feb 29, 2024Feb 29, 2024
    • Jupyter Notebook
      MIT License
      3600Updated May 10, 2023May 10, 2023
    • dpgen2

      Public
      Python
      30710Updated Mar 2, 2023Mar 2, 2023
    • Fast and memory-efficient exact attention
      C++
      BSD 3-Clause "New" or "Revised" License
      1.5k1000Updated 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
      4715920Updated Aug 6, 2022Aug 6, 2022
    • Virtual Kubelet is an open source Kubernetes kubelet implementation.
      Go
      Apache License 2.0
      624000Updated Jul 19, 2022Jul 19, 2022
    • Kubernetes operator for interacting with HPC.
      Go
      Apache License 2.0
      28100Updated May 12, 2022May 12, 2022