Factual package intelligence from PyPI

mddatasetbuilder 1.3.10 package intelligence

A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS trajectories automatically.

pip install mddatasetbuilder

Current version
1.3.10
Python requirement
>=3.7
License
Not declared
Distribution type
Includes compiled wheel
Release files
4 (3 wheels, 1 source)
Download size
153.5 KiB
Release history
29 releases with files
Median release cadence
11 days

mddatasetbuilder dependencies

PyPI declares 14 unique dependency rules for this release. Environment markers are shown when supplied by the project.

  1. numpy
  2. scikit-learn
  3. ase
  4. gaussianrunner >=1.0.20
  5. tqdm >=4.9.0
  6. coloredlogs
  7. lz4
  8. dpdata >=0.1.2
  9. openbabel-wheel >=3.1.0.0

Compatibility and release files

mddatasetbuilder publishes 3 wheels and 1 source archive for version 1.3.10. Wheel platform tags: macosx_10_9_universal2, manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64, win_amd64.

Declared Python classifiers: 3.10, 3.11, 3.7, 3.8, 3.9.

Metadata completeness

PyPI does not currently declare: license. PyDeps marks these fields as unknown instead of guessing values.

Release activity and sources

PyPI lists 29 releases with files. The first dated release is ; 4 releases fall within the 365 days preceding the latest dated release. The current release files were uploaded on . The preceding dated release was .

1 historical release is fully yanked in PyPI metadata.