pip install e3fp==1.2.3

Molecular 3D fingerprinting

Source
Among top 50% packages on PyPI.
Over 1.4K downloads in the last 90 days.

Commonly used with e3fp

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

pyvoro

2D and 3D Voronoi tessellations: a python entry point for the voro++ library.

esutil

Erin Sheldons Python Utilities

triangle_plot

Make some beautiful corner plots of samples.

oktopus

soft-bodied, eight-armed package for beautiful inference

acor

Estimate the autocorrelation time of a time series quickly.

IBMQuantumExperience

A Python library for the Quantum Experience API.

featureflow

None

geojsoncontour

Convert matplotlib contour plots to geojson

cfunits

A python interface to UNIDATA's UDUNITS-2 package with CF extensions

gaussian_processes

Python library for gaussian processes

guano

GUANO, the "Grand Unified" bat acoustics metadata format

skbold

Utilities and tools for machine learning on BOLD-fMRI data.

dask-ms

xarray Datasets from CASA Tables.

sdeint

Numerical integration of stochastic differential equations (SDE)

distob

Distributed computing made easier, using remote objects

pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR) method.

fodeint

Numerical integration of fractional ordinary differential equations (FODE)

mcpartools

Set of tools to parallelize MC calculations on clusters

beprof

Beam Profile Analysing Tools

Version usage of e3fp

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

1.2.3

47.49%

1.2.1

15.76%

1.2.2

15.47%

1.2.0

10.39%

1.0

5.44%

1.1

5.44%