Showing 1 open source project for "quantum chemistry programs"

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    DeepChem

    DeepChem

    Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc

    DeepChem aims to provide a high-quality open-source toolchain that democratizes the use of deep learning in drug discovery, materials science, quantum chemistry, and biology. DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition. DeepChem has a number of "soft" requirements. If you face some errors like ImportError: This class requires XXXX, you may need to install some packages. Deepchem provides support for TensorFlow, PyTorch, JAX and each requires an individual pip Installation. ...
    Downloads: 1 This Week
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