PyPI Stats
  • Insights
  • PyPI
  • GitHub
  • Search
  • Compare
  • Advisories
  • Ecosystem
  • About
Home

Search Packages

Find Python packages by name, description, GitHub topic, or filter by metrics
pymc-devs
pytensor

PyTensor allows you to define, optimize, and efficiently evaluate mathematical expressions involving multi-dimensional arrays.

1M 609 182
aiidateam
aiida-core

The official repository for the AiiDA code

34K 561 258
okkevaneck
prospr

Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.

22K 17 1
sciris
sciris

Fast, flexible tools to simplify scientific Python

21K 39 13
VIDA-NYU
reprozip

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

7K 359 37
lukasturcani
stk

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

7K 284 53
VIDA-NYU
reprounzip

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

1K 359 37
VIDA-NYU
reprounzip-vagrant

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

925 359 37
VIDA-NYU
reprounzip-docker

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

824 359 37
jkglasbrenner
sshcustodian

A modification to the Custodian class in custodian (github.com/materialsproject/custodian) to allow for copying the temp_dir to other compute nodes via ssh.

665 0 0
VIDA-NYU
reprounzip-qt

Graphical user interface for reprounzip, using Qt

508 359 37
VIDA-NYU
reprounzip-vistrails

Integrates the ReproZip unpacker with the VisTrails workflow management system

425 359 37
jkglasbrenner
neighbormodels

A tool for building crystal lattice models with distance-dependent neighbor interactions.

325 3 2
VIDA-NYU
reprozip-jupyter

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

309 359 37
porfanid
turing-machine-utils

Python script to create and test Turring machines

269 0 0
dlr-wf
crackpy

Crack Analysis Tool in Python (CrackPy) - automatic detection and fracture mechanical analysis of (fatigue) cracks using digital image correlation

174 94 16
Mehrdadghassabi
gracc

Graph theory approach for Modeling Electrical Circuits

57 5 0
    • Data from PyPI, GitHub, ClickHouse, and BigQuery