pip install qcfractal==0.15.7

A distributed compute and database platform for quantum chemistry.

Source
Among top 50% packages on PyPI.
Over 2.8K downloads in the last 90 days.

Commonly used with qcfractal

Based on how often these packages appear together in public requirements.txt files on GitHub.

openbabel

Python interface to the Open Babel chemistry library

ipyext

IPython-extensions: more magic(s) for IPython

foyer

Foyer: Atomtyping and forcefield applying.

then

When "something" THEN send email/sms/telegram/event/execute... or Whatever

constraints

Returns a constrained subset of the members of a dict of dicts

colourlovers

A python wrapper for ColourLovers API

ele

None

BDMesh

BD Mesh generator

BDQuaternions

Package for manipulations with Quaternions

spreg

PySAL Spatial Econometrics Package

spglm

sparse generalized linear models

features

Feature set algebra for linguistics

slepc4py

SLEPc for Python

GPyOpt

The Bayesian Optimization Toolbox

apgl

A fast python graph library based on numpy and scipy.

oceansdb

Package to subsample ocean climatologies and reference data.

noteshrink

Convert scans of handwritten notes to beautiful, compact PDFs

dlxsudoku

Sudoku Solver in pure Python with no dependencies

nidmresults

Export of neuroimaging statistical results using NIDM as specified at http://nidm.nidash.org/specs/nidm-results.html.

Version usage of qcfractal

Proportion of downloaded versions in the last 3 months (only versions over 1%).

0.15.6

5.71%

0.11.0

4.55%

0.8.0

4.27%

0.7.1

4.23%

0.5.2

4.20%

0.6.0

4.20%

0.10.0

4.16%

0.5.5

4.13%

0.7.2

4.13%

0.5.4

4.13%

0.5.0

4.09%

0.5.3

4.06%

0.5.0rc1

3.88%

0.15.5

3.84%

0.15.4

3.77%

0.15.7

3.70%

0.15.3

3.28%

0.15.2

3.10%

0.15.0

3.03%

0.15.1

2.96%

0.14.0

2.86%

0.12.3

2.29%

0.13.0

2.26%

0.9.0

2.26%

0.13.1

2.22%

0.12.2

2.22%

0.12.1

2.19%

0.5.1

2.15%

0.12.0

2.12%