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  1. Forked from openforcefield/openforcefield

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

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  2. Forked from leeping/forcebalance

    Systematic force field optimization.


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  4. Forked from openforcefield/openff-evaluator

    Property estimation toolkit from the Open Forcefield Consortium.


18 contributions in the last year

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Contribution activity

September - October 2020

MSchauperl has no activity yet for this period.

August 2020

Created an issue in Discngine/fpocket that received 1 comment

Pytests fail after installation from source

Hi, I am struggling with the installation from source code (on ubuntu 20.04). I installed fpocket from source as described on the manual page. Howe…

1 comment

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