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@Novel-Therapeutics

Novel Therapeutics

AI-driven drug discovery

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  1. boltz-community boltz-community Public

    Forked from jwohlwend/boltz

    Community-maintained Boltz fork with bug fixes, broader compatibility, and CI.

    Python 23 2

  2. gpuff gpuff Public

    GPU-accelerated UFF conformer optimization using PyTorch

    Python 1

  3. nvMolKit nvMolKit Public

    Forked from NVIDIA-Digital-Bio/nvMolKit

    A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, and geometry relaxation.

    Cuda

  4. Uni-Mol Uni-Mol Public

    Forked from deepmodeling/Uni-Mol

    Official Repository for the Uni-Mol Series Methods

    Python

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