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@digitalmoleculardesign

DMDS

GitHub Organization for the course "Digital Molecular Design Studio" at Carnegie Mellon University

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  1. CHEM-4PB3 CHEM-4PB3 Public

    Forked from RodrigoAVargasHdz/CHEM-4PB3

    Course nots for CHEM-4PB3 McMaster

    Jupyter Notebook 1

  2. mml-2025-env mml-2025-env Public

    Automated environment setup for CMU's Molecular Machine Learning (06-731) course.

    Shell 1 1

  3. cmu-bayesopt-lecture cmu-bayesopt-lecture Public

    Forked from rileyhickman/cmu-bayesopt-lecture

    material for guest lecture for Digital Molecular Design Studio (CHM 09-860)

    Jupyter Notebook 1

  4. olympus olympus Public

    Forked from aspuru-guzik-group/olympus

    Olympus: a benchmarking framework for noisy optimization and experiment planning

    Jupyter Notebook 1

  5. DIG DIG Public

    Forked from divelab/DIG

    A library for graph deep learning research

    Python

  6. GOOD GOOD Public

    Forked from divelab/GOOD

    GOOD: A Graph Out-of-Distribution Benchmark [NeurIPS 2022 Datasets and Benchmarks]

    Python

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