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@mdtraj @conda-forge @openforcefield @mosdef-hub @FIRST-Center @mmoss-io



  1. Collection of assorted doftfiles


  2. in silico generation of carbide-derived carbons


  3. The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at

    Jupyter Notebook 118 37

  4. A molecular system object from the Open Force Field Initiative

    Python 2 2

1,913 contributions in the last year

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Contribution activity

October 2020

Created a pull request in conda-forge/qcportal-feedstock that received 8 comments

Re-build after servers brought online

Let's see if git --allow-empty can work as intended for re-triggering CI without adding spaces! Checklist Used a personal fork of the feedstock …

+1 −1 8 comments

Created an issue in conda-forge/qcportal-feedstock that received 8 comments

QCPortal 0.14.0 did not deploy

The most recent version online is 0.13.1 ( which the client rejects the use of Here's where I'm sta…


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