Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
juliahub.com "computational-chemistry" keyword
Top 9.2% on juliahub.com
82 versions - Latest release: 7 days ago - 2 dependent packages - 401 stars on GitHub
DFTK 0.6.19
Density-functional toolkit82 versions - Latest release: 7 days ago - 2 dependent packages - 401 stars on GitHub
PseudoPotentialIO 0.2.0
Support for reading and using pseudopotentials in Julia3 versions - Latest release: about 1 year ago - 1 dependent package - 7 stars on GitHub
VibrationalAnalysis 0.1.8
9 versions - Latest release: 8 days ago - 2 stars on GitHubCclib 0.4.0
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python p...3 versions - Latest release: 9 months ago - 9 stars on GitHub
QuantumFoca 0.1.0 💰
A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-D...1 version - Latest release: almost 2 years ago - 47 stars on GitHub
Quiqbox 0.5.9
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis s...25 versions - Latest release: about 2 months ago - 31 stars on GitHub
BasisSets 0.1.2
Package to parse Basis Sets from Basis Set Exchange API3 versions - Latest release: 8 months ago - 5 stars on GitHub
Related Keywords
julia
3
electronic-structure
3
ab-initio
2
materials-science
2
quantum-chemistry
2
density-functional-theory
2
gaussian
1
chemistry-solver
1
chemistry
1
quantum
1
basis-set
1
molecular-integrals
1
molecule
1
automatic-differentiation
1
many-body-physics
1
hartree-fock
1
molecular-modeling
1
basis-set-exchange
1
hartree-fock-methods
1
integrals
1
hacktoberfest
1
pycall
1
cclib
1
theoretical-chemistry
1
pseudopotential
1
kohn-sham
1
toolkit
1
plane-wave
1
numerical-analysis
1
mathematical-analysis
1