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    • NACraft

      Public
      Python
      MIT License
      0000Updated Aug 8, 2026Aug 8, 2026
    • Operators for AI4S
      Python
      GNU Affero General Public License v3.0
      0000Updated Jul 3, 2026Jul 3, 2026
    • ODesign

      Public
      Official repository of "ODesign: A World Model for Biomolecular Interaction Design"
      Python
      Other
      3933091Updated Jul 1, 2026Jul 1, 2026
    • openmm

      Public
      OpenMM is a toolkit for molecular simulation using high performance GPU code.
      C++
      629000Updated May 26, 2026May 26, 2026
    • gromacs

      Public
      The GROMACS molecular simulation toolkit.
      C++
      GNU Lesser General Public License v2.1
      404000Updated May 26, 2026May 26, 2026
    • The benchmark of all molecular interactions
      Python
      2700Updated May 21, 2026May 21, 2026
    • design pipeline for protein, nucleic acid, and small molecule
      Python
      Apache License 2.0
      94400Updated Mar 5, 2026Mar 5, 2026
    • .github

      Public
      The description of The Institute for AI Molecular Design
      0000Updated Dec 10, 2025Dec 10, 2025
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