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PyPI molecular-simulations @0.5.0

score
0.5699 med
flagged 2026-07-08 11:01
signals by category
topology 2

maintainers added:

package profile →

Signals fired

signalweightrationale
topology
repository_url_changed 0.7 'https://github.com/msinclair-py/molecular-dynamics' -> 'https://github.com/msinclair-py/molecular-simulations'
new_dep_unknown 0.5 2 new non-watchlisted requires_dist: ['gemmi', 'pdbfixer']

Prior profile (what it deviated from)

{
  "had_install_script": false,
  "maintainers": [
    "Matt Sinclair <msinclair@anl.gov>"
  ],
  "versions": 67
}

Evidence (package doc at flag time)

{
  "author_email": "Matt Sinclair <msinclair@anl.gov>",
  "classifiers": [
    "Programming Language :: Python :: 3"
  ],
  "home_page": null,
  "last_serial": 38787491,
  "latest_version": "0.5.0",
  "maintainer_email": null,
  "num_versions": 68,
  "project_urls": {
    "Homepage": "https://github.com/msinclair-py/molecular-simulations",
    "Issues": "https://github.com/msinclair-py/molecular-simulations/issues"
  },
  "requires_dist_count": 30,
  "signal_details": {
    "new_dep_unknown": "2 new non-watchlisted requires_dist: ['gemmi', 'pdbfixer']",
    "repository_url_changed": "'https://github.com/msinclair-py/molecular-dynamics' -> 'https://github.com/msinclair-py/molecular-simulations'"
  },
  "yanked": false,
  "yanked_reason": null
}