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SPP 2363 - Molecular Machine Learning

The SPP 2363, entitled "Use and Development of Machine Learning for Molecular Applications - Molecular Machine Learning", is an interdisciplinary and collaborat

The SPP 2363, entitled "Use and Development of Machine Learning for Molecular Applications - Molecular Machine Learning", is an interdisciplinary and collaborative Priority Program funded by the DFG. The goals of the program include the development of new molecular representations, the establishment of machine learning as a tool for theoretical and organic chemistry, and the application of machine learning for medicinal chemistry and drug design. These objectives will be based on the generation and evaluation of high quality data sets and the utilization and development of modern and explainable machine learning algorithms.

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  1. Guides-and-Info Guides-and-Info Public

    A brief Introduction to good code quality and how to achieve it

Repositories

Showing 10 of 10 repositories
  • evompf Public
    SPP2363/evompf’s past year of commit activity
    Python 0 0 0 0 Updated Aug 15, 2024
  • SPP2363/Standardizing-Substrate-Selection’s past year of commit activity
    Python 0 0 0 0 Updated Aug 15, 2024
  • SPP2363/EnrichMatrix’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Aug 15, 2024
  • dxtb Public Forked from grimme-lab/dxtb

    Efficient And Fully Differentiable Extended Tight-Binding

    SPP2363/dxtb’s past year of commit activity
    Python 0 Apache-2.0 8 0 0 Updated Aug 14, 2024
  • pyGecko Public Forked from FelixKatz77/pyGecko

    pyGecko is an open-access python libary for the parsing, processing and analysis of GC/MS and GC/FID raw data.

    SPP2363/pyGecko’s past year of commit activity
    Jupyter Notebook 0 MIT 2 0 0 Updated Aug 6, 2024
  • Guides-and-Info Public

    A brief Introduction to good code quality and how to achieve it

    SPP2363/Guides-and-Info’s past year of commit activity
    0 0 0 0 Updated Jul 25, 2024
  • EnTdecker Public Forked from le-schlo/EnTdecker

    EnTdecker platform

    SPP2363/EnTdecker’s past year of commit activity
    Python 0 2 0 0 Updated Jun 6, 2024
  • ZnTrack Public Forked from zincware/ZnTrack

    Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.

    SPP2363/ZnTrack’s past year of commit activity
    Python 0 Apache-2.0 5 0 0 Updated Mar 20, 2024
  • MDSuite Public Forked from zincware/MDSuite

    A post-processing engine for particle simulations

    SPP2363/MDSuite’s past year of commit activity
    Python 0 EPL-2.0 7 0 0 Updated Aug 3, 2023
  • .github Public
    SPP2363/.github’s past year of commit activity
    0 0 0 0 Updated Jun 23, 2022

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