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" keyword
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
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-evaluator 0.4.0
A physical property evaluation toolkit from the Open Forcefield Consortium.10 versions - Latest release: over 1 year ago - 2 dependent repositories - 36 stars on GitHub
openff-evaluator-base 0.4.0
A physical property evaluation toolkit from the Open Forcefield Consortium.6 versions - Latest release: over 1 year ago - 1 dependent package - 30 stars on GitHub
Related Keywords
forcefield-parameterization
7
openmm
5
nsf-grant-che-1738979
5
force-field
4
smirnoff-force-field
3
open-force-field-consortium
3
molecular-mechanics
3
molecular-dynamics
3
force-fields
3
chemical-environment-perception
3
amber
3
cheminformatics
2
database
2
quantum-chemistry
2
assessment
2
openforcefield
2
physical-properties
2
thermoml
2
validation
2