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Pinned

  1. SINGROUP/Runner SINGROUP/Runner Public

    Tools to easly schedule atomistic simulation workflow

    Python 1 1

  2. SINGROUP/MutualInformation SINGROUP/MutualInformation Public

    Mutual Information codes

    Python 30 8

  3. SINGROUP/dscribe SINGROUP/dscribe Public

    DScribe is a python package for creating machine learning descriptors for atomistic systems.

    C++ 383 87

  4. Asset_3D Asset_3D Public

    Deployable text to 3D asset generator using [shap-e](https://github.com/openai/shap-e)

    Python

  5. SINGROUP/ProbeParticle_workflow SINGROUP/ProbeParticle_workflow Public

    A workflow for double ProbeParticle method using OpenCL and complex_tip branch of ProbeParticle method

    Jupyter Notebook 1 1

  6. Graph-mol Graph-mol Public

    Transformer Graph network for molecule property prediction

    Python 1 1