|
aiida-cp2k
|
public |
The official AiiDA plugin for CP2K.
|
2023-06-18 |
|
apscheduler
|
public |
In-process task scheduler with Cron-like capabilities
|
2023-06-18 |
|
aiida-gaussian-datatypes
|
public |
AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens
|
2023-06-18 |
|
aiida_conda_scheduler
|
public |
AiiDA scheduler plugins that allow for `conda run`.
|
2023-06-18 |
|
aiida-yambo
|
public |
YAMBO plugin and workflows for AiiDA
|
2023-06-18 |
|
aiida-abinit
|
public |
The AiiDA plugin for ABINIT.
|
2023-06-18 |
|
aiida-export-migration-tests
|
public |
Export archives for migration tests for AiiDA
|
2023-06-16 |
|
qe-tools
|
public |
A set of useful tools to manage Quantum ESPRESSO files
|
2023-06-16 |
|
seekpath
|
public |
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
|
2023-06-16 |
|
prospector.add_ons
|
public |
Prospector: python static analysis tool
|
2023-06-16 |
|
aiida-icl
|
public |
AiiDA plugin interfacing with the Imperial College London cx1 HPC
|
2023-06-16 |
|
prospector
|
public |
Prospector: python static analysis tool
|
2023-06-16 |
|
activate-aiida
|
public |
a package to activate an aiida environment, from a yaml config file
|
2023-06-16 |
|
aiida-cx1scheduler
|
public |
AiiDA plugin interfacing with the Imperial College London cx1 HPC
|
2023-06-16 |
|
aiida-quantumespresso
|
public |
The official AiiDA plugin for Quantum ESPRESSO
|
2023-06-16 |
|
aiida-crystal17
|
public |
AiiDA plugin for running the CRYSTAL17 code
|
2023-06-16 |
|
sqlalchemy-diff
|
public |
Compare two database schemas using sqlalchemy.
|
2023-06-16 |
|
atomic-hpc
|
public |
A package for running multiple executable scripts on both local and remote hosts, configured using a YAML file
|
2023-06-16 |
|
pgtest
|
public |
Creates a temporary, local PostgreSQL database cluster and server for unittesting, and cleans up after itself
|
2023-06-16 |
|
ejplugins
|
public |
parser plugins for jsonextended
|
2023-06-16 |
|
ipypublish
|
public |
A workflow for creating and editing publication ready scientific reports, from one or more Jupyter Notebooks
|
2023-06-16 |
|
jsonextended
|
public |
Extending the python json package functionality
|
2023-06-16 |
|
sphinxcontrib-contentui
|
public |
Sphinx "contentui" extension
|
2023-06-16 |
|
pg8000
|
public |
PostgreSQL interface library
|
2023-06-16 |
|
ipymd
|
public |
No Summary
|
2023-06-16 |
|
chemview
|
None |
WebGL Molecular Viewer for IPython notebook.
|
2023-06-16 |
|
pygauss
|
None |
Python API for Analysis of Gaussian Quantum Chemical Compuations
|
2023-06-16 |
|
nose-parameterized
|
None |
Decorator for parameterized testing with Nose
|
2023-06-16 |
|
coveralls
|
None |
Show coverage stats online via coveralls.io
|
2023-06-16 |
|
pyopengl
|
None |
No Summary
|
2023-06-16 |
|
chemlab
|
None |
The Python Computational Chemistry library you were waiting for.
|
2023-06-16 |
|
cclib
|
None |
cclib: parsers and algorithms for computational chemistry
|
2023-06-16 |
|
python-docx
|
None |
Create and update Microsoft Word .docx files.
|
2023-06-16 |
|
nose-cov
|
None |
nose plugin for coverage reporting, including subprocesses and multiprocessing
|
2023-06-16 |
|
nose2
|
None |
nose2 is the next generation of nicer testing for Python
|
2023-06-16 |
