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  1. cbc-univie/transformato Public

    Set up relative free energy calculations using a common scaffold

    Python 22 6

  2. choderalab/neutromeratio Public

    Tautomer ratios in solution

    Jupyter Notebook 25 6

  3. mayrf/pkasolver Public

    toolkit for prediction pKa values of small molecules via graph convolutional networks

    Jupyter Notebook 58 21

  4. endstate_correction Public

    Endstate corrections from MM to QML potential

    Python 12 1

  5. choderalab/modelforge Public

    Infrastructure to implement and train NNPs

    Python 14 5

  6. Exscientia/StableNetGuardOwl Public

    Perform stability tests for Neural Network Potentials

    Python 6

1,225 contributions in the last year

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Loading A graph representing wiederm's contributions from April 21, 2024 to April 24, 2025. The contributions are 75% commits, 14% pull requests, 8% code review, 3% issues.

Contribution activity

April 2025

25 contributions in private repositories Apr 2 – Apr 23
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