Ecosyste.ms: Packages

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conda-forge.org "nsf-grant-che-1738979" keyword

openff-fragmenter-base 0.2.0
A package for fragmenting molecules for quantum mechanics torsion scans.
4 versions - Latest release: over 1 year ago - 2 dependent packages - 37 stars on GitHub
openff-fragmenter 0.2.0
A package for fragmenting molecules for quantum mechanics torsion scans.
4 versions - Latest release: over 1 year ago - 1 dependent repositories - 37 stars on GitHub
openff-toolkit-base 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...
15 versions - Latest release: over 1 year ago - 13 dependent packages - 2 dependent repositories - 232 stars on GitHub
openff-toolkit-examples 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...
12 versions - Latest release: over 1 year ago - 232 stars on GitHub
openff-toolkit 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...
15 versions - Latest release: over 1 year ago - 8 dependent packages - 14 dependent repositories - 232 stars on GitHub