Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "force-field" 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
xtb 6.5.1
Semiempirical Extended Tight-Binding Program Package9 versions - Latest release: almost 2 years ago - 4 dependent packages - 10 dependent repositories - 397 stars on GitHub
foyer 0.11.3
Foyer is an open-source Python tool that enables users to define and apply force field atom-typin...13 versions - Latest release: over 1 year ago - 4 dependent packages - 18 dependent repositories - 84 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
torchani 2.2.2
Accurate Neural Network Potential on PyTorch3 versions - Latest release: about 2 years ago - 3 dependent packages - 7 dependent repositories - 372 stars on GitHub
Related Keywords
forcefield
4
validation
2
thermoml
2
physical-properties
2
openmm
2
openforcefield
2
assessment
2
molecular-simulation
2
quantum-chemistry
2
nsf-grant-che-1738979
2
forcefield-parameterization
2
disseminating-forcefields
1
foyer
1
molecular-dynamics
1
atom-typing
1
python
1
tight-binding
1
computational-chemistry
1
atomistic-simulations
1
deep-learning
1
neural-network
1
quantum-mechanics
1