Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "atomic-simulation-environment" keyword
fortnet-ase 0.2.1
Interfacing Fortnet with the Atomic Simulation Environment6 versions - Latest release: about 1 year ago - 1 dependent repositories - 32 downloads last month - 0 stars on GitHub - 1 maintainer
vieworca 0.2.1
This program is designed to allow the user to inspect calculations from ORCA. This is to be used ...3 versions - Latest release: 18 days ago - 310 downloads last month - 0 stars on GitHub - 1 maintainer
organisms 3.2.6
This program is designed to perform a genetic algorithm global optimisation for nanoclusters.8 versions - Latest release: about 3 years ago - 1 dependent repositories - 74 downloads last month - 6 stars on GitHub - 1 maintainer
pyquestaal 0.2.3
Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure pr...3 versions - Latest release: almost 2 years ago - 17 downloads last month - 3 stars on GitHub - 1 maintainer
gleqpy 1.0.3
Tools for generalized Langevin equation simulation and analysis4 versions - Latest release: 7 months ago - 11 downloads last month - 0 stars on GitHub - 1 maintainer
ase-koopmans 0.1.4
Atomic Simulation Environment for Koopmans5 versions - Latest release: 10 months ago - 2 dependent packages - 1 dependent repositories - 90 downloads last month - 3 stars on GitHub - 3 maintainers
latticefinder 1.1.2.4
This program is designed to give the lattice constants for a 3D crystal lattice or a 2D system, s...3 versions - Latest release: about 3 years ago - 1 dependent repositories - 41 downloads last month - 0 stars on GitHub - 1 maintainer
adsorber 1.10
This program is designed to adsorb molecules to the surface of a cluster in all various ways..2 versions - Latest release: over 2 years ago - 56 downloads last month - 3 stars on GitHub - 1 maintainer
Related Keywords
ase
4
otago-university
3
python
3
university-of-otago
3
jupyter-binder
2
asap3
2
condensed-matter-physics
1
dft
1
electronic-structure
1
gw
1
physics
1
pymatgen
1
qsgw
1
questaal
1
generalized-langevin-equation
1
langevin
1
molecular-dynamics
1
koopmans-functionals
1
lattice
1
lattice_constant
1
Adsorber
1
common-neighbour-analysis
1
common-neighbor-analysis
1
fitness-operator
1
predation-operator
1
genetic-algorithm
1
optimisation
1
clusters
1
nanoparticles
1
nanoclusters
1
ORCA
1
DFT
1
computational-chemistry
1
interface
1
fortran
1
fortnet
1