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Acellera / moleculekit

MoleculeKit: Your favorite molecule manipulation kit

Why this job: works in the areas we cover, but does not say which job it does

What it does

In the ipython console you can now import any of the modules of moleculekit and use it as normal.

Get started

No single install command. Read the steps in the README (opens in new tab)

Maintenance
Active
Last commit 17 days ago
Stars
250
On GitHub
Licence
Custom
Read before business use
Downloads for
2 systems
Mac, Linux
Latest version
v1.17.19
Released 20 days ago
Built with
Python
78% of the code

Is it looked after?

Contributors
Not stated
Last 90 days
Issues
93% closed
7 still open
Pull requests
47 merged
2 waiting
Releases
46
30+ in the last year
  • No contributing guide
  • No security policy
  • No code of conduct

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More: download files, languages, topics and project record

Download files, v1.17.19

  • Mac2 files, 2 downloads
  • Linux4 files, 4 downloads

All files on GitHub (opens in new tab)

Languages

  • Python 78%
  • C++ 8%
  • Cython 6%
  • C 6%

Topics

  • molecule
  • machine-learning
  • proteins
  • drug-discovery
  • molecular-modeling
  • molecular-simulation

Project record

  • JobOther AI tools
  • StatusListed
  • Commits1,519
  • Forks36
  • Watching9
  • Stars in 28 days+1
  • CreatedMar 28, 2019
  • First seen by usNov 7, 2026
  • CheckedNov 8, 2026

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