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Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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  1. Liu-Group-UF/PropMolFlow Liu-Group-UF/PropMolFlow Public

    SE(3) Equivariant Flow Matching for Property-Guided Molecule Generation.

    Python 60 9

  2. Liu-Group-UF/MolCrystalFlow Liu-Group-UF/MolCrystalFlow Public

    Molecular Crystal Structure Prediction with Flow Matching

    Python 12 5

  3. Liu-Group-UF/MolGuidance Liu-Group-UF/MolGuidance Public

    Advanced Guidance Strategies for Conditional Molecule Generation with Flow Matching

    Python 4 1

  4. ml-hea-corrosion-code-data ml-hea-corrosion-code-data Public

    Scripts, notebooks and data to reproduce results in "machine learning accelerated discovery of corrosion-resistant high-entropy alloys"

    Jupyter Notebook 9 4

  5. ASEMTP ASEMTP Public

    ASE calculator for moment tensor potential

    Python 6 4

  6. d_vae_hea d_vae_hea Public

    PyTorch implementation of inverse materials design using D-VAE

    Jupyter Notebook 1