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Yoshanuikabundi/README.md

Hi there 👋

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  1. openforcefield/openff-toolkit Public

    The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

    Python 324 93

  2. snakes_on_a_plane Public

    Conda meets Cargo. Keep your conda dev environments local, specific, and up-to-date.

    Python 1

  3. openforcefield/openff-bespokefit Public

    Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.

    Python 62 9

  4. openforcefield/openff-docs Public

    Documentation for the Open Force Field ecosystem

    Jupyter Notebook 2

523 contributions in the last year

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Contribution activity

January 2025

Opened 4 pull requests in 2 repositories
openforcefield/openff-pablo 1 open 2 merged
Yoshanuikabundi/openff-pdbscan 1 merged
Reviewed 3 pull requests in 1 repository
openforcefield/openff-interchange 3 pull requests

Created an issue in openforcefield/openff-pablo that received 3 comments

Add PDB test suite

We need a collection of challenging PDB files to test loading. Ideally, we would have a suite of PDB files covering: Basic PDB file with a single…

6 of 52 tasks
3 comments
Opened 6 other issues in 1 repository
openforcefield/openff-pablo 5 open 1 closed
1 contribution in private repositories Jan 3
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