Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "forcefield-parameterization" 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
cmiles 0.1.6
Generate canonical molecule identifiers for quantum chemistry database2 versions - Latest release: over 3 years ago - 1 dependent package - 1 dependent repositories - 23 stars on GitHub
cmiles-base 0.1.6
Generate canonical molecule identifiers for quantum chemistry database1 version - Latest release: over 3 years ago - 3 dependent packages - 23 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
espaloma 0.2.4
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹...3 versions - Latest release: over 1 year ago - 123 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