PyRank
SCM-NV

plams

Python Library for Automating Molecular Simulations
PyPI GitHub
More links
Download Stats Changelog
Verified repo
Monthly downloads
2.6K
Weekly downloads
334
GitHub stars
95

Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.

Package Information

Latest Version
2026.104
Requires Python
>=3.8
Licence
LGPLv3
Last Release
4 months ago
First Release
May 19, 2017
Total Releases
18
Python Versions
3.8 3.9 3.10 3.11 3.12 3.13
No reported malware or high/critical advisories · Details

The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.

Package Insights

What's this?
Score breakdown - each component scores 0-100, weighted by percentage
Maintenance
80
Popularity
42
Adoption
34
Community
70
Provenance
100
How the maintenance status was determined
Last commit
8 days ago
Monthly downloads
2,601
• Active
Activity within 30 days
Stable
Activity within 31-180 days
Minimal
Activity within 181-365 days, or no activity data
At Risk
No activity for > 365 days, but > 10,000 monthly downloads
Archived
Repository flagged as archived on GitHub
How the popularity category was determined
Monthly downloads
2,601
Stars
95
Stars per 1k downloads
36.52
Industry Standard
> 10,000,000 monthly downloads
Hidden Gem
< 0.5 stars per 1k downloads and > 100,000 monthly downloads
• Community Favorite
> 5 stars per 1k downloads
Rising Star
Balanced ratio of stars to downloads
Unknown
Fewer than 1,000 monthly downloads, or no star data
How download momentum is calculated
Week daily avg
48
Month daily avg
87
Momentum
—
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100
Momentum not reported for packages with < 5,000 monthly downloads — percentages are noisy at low volume.
More insights and metrics
Python version support tiers
requires_python
>=3.8
Cutting Edge
Minimum supported version is 3.14 or newer
Modern
Minimum supported version is 3.11 to 3.13
• Legacy
Supports 3.10 or older (or Python 2)
Unknown
No requires_python specified or unparseable
License categories
License
LGPLv3
Permissive
MIT, Apache, BSD, ISC, Unlicense, CC0, etc.
• Copyleft
GPL, LGPL, AGPL, MPL, EPL, etc.
Proprietary
Commercial, all rights reserved, custom EULAs
Unknown
No license specified, or none of the above match
How the release cadence was determined
Last release
130 days ago
Total releases
18
Releases/year
1.9
Rapid
Last release within 365 days and > 12 releases/year
• Regular
Last release within 365 days
Slow
Last release 366-730 days ago
Stalled
Last release > 730 days ago, or no releases
Unknown
No usable release date available
How contributor risk was determined
Contributors
32
Monthly downloads
2,601
High Load
≤ 2 contributors and ≥ 50,000 monthly downloads
Moderate Load
< 10 contributors and ≥ 500,000 monthly downloads
Low Load
< 25 contributors and ≥ 5,000,000 monthly downloads, or sole maintainer with ≥ 10,000 monthly downloads
• Balanced
Enough contributors for the package's popularity
Unknown
No contributor data available
Engagement
57
 
Issue Burden
-
per 1k stars
Discussions
-
per 1k stars
Fork Ratio
106.7%
contrib / forks
Stale Release
121d
 
PR Velocity
Quiet
 
Not all downloads include detailed metadata. Breakdowns reflect the subset that does.

Downloads by OS

Linux 13
Windows 3
macOS 1

Python Versions

3.12
50.0% 8
3.7
18.8% 3
2.7
12.5% 2
3.13
12.5% 2
3.14
6.2% 1

Top Countries

1. IR IR
36
2. US US
11
3. IN IN
4
4. JP JP
2
5. BE BE
1
6. CN CN
1
7. DE DE
1
8. SG SG
1

Weekly Downloads

GitHub Stars

Dependencies

3
39 optional dependencies
  • ase>=3.18[chem]
    extra == "chem"
  • ase>=3.18[all]
    extra == "all"
  • black==24.8.0[dev]
    extra == "dev"
  • coverage>=7.5.3[dev]
    extra == "dev"
  • flake8==5.0.4[dev]
    extra == "dev"
  • h5py>=3.6.0[all]
    extra == "all"
  • h5py>=3.6.0[analysis]
    extra == "analysis"
  • ipython>=7.22.0[docs]
    extra == "docs"
  • ipython>=7.22.0[all]
    extra == "all"
  • ipython>=7.22.0[analysis]
    extra == "analysis"
  • jupyterlab>=3.5.2[examples]
    extra == "examples"
  • matplotlib>=3.5.1[analysis]
    extra == "analysis"
  • matplotlib>=3.5.1[all]
    extra == "all"
  • mypy==1.12.0[dev]
    extra == "dev"
  • natsort>=8.1.0[analysis]
    extra == "analysis"
  • natsort>=8.1.0[all]
    extra == "all"
  • nbconvert>=6.4.5[docs]
    extra == "docs"
  • networkx>=2.7.1[all]
    extra == "all"
  • networkx>=2.7.1[analysis]
    extra == "analysis"
  • pandas>=1.5.2[all]
    extra == "all"
  • pandas>=1.5.2[analysis]
    extra == "analysis"
  • pillow>=10.4.0[all]
    extra == "all"
  • pillow>=10.4.0[analysis]
    extra == "analysis"
  • psutil>=5.8.0[all]
    extra == "all"
  • psutil>=5.8.0[ams]
    extra == "ams"
  • py-ubjson>=0.16.1[ams]
    extra == "ams"
  • py-ubjson>=0.16.1[all]
    extra == "all"
  • pyomo>=6.4.1[all]
    extra == "all"
  • pyomo>=6.4.1[analysis]
    extra == "analysis"
  • pytest>=7.4.0[dev]
    extra == "dev"
  • rdkit>=2017[chem]
    extra == "chem"
  • rdkit>=2017[all]
    extra == "all"
  • scipy>=1.8.0[all]
    extra == "all"
  • scipy>=1.8.0[analysis]
    extra == "analysis"
  • sphinx<8.2,>=6.2.1[docs]
    extra == "docs"
  • sphinx-copybutton>=0.5.2[docs]
    extra == "docs"
  • sphinx-design>=0.5.0[docs]
    extra == "docs"
  • watchdog>=2.1.8[all]
    extra == "all"
  • watchdog>=2.1.8[ams]
    extra == "ams"

Used By

11
View all 11 dependents

Repository details

Forks
30
Issues
3
Last Commit
1 week ago
Contributors
32
Open PRs
1
Archived
No

Data and sources

Tracking Since
September 26, 2026
Data Updated
October 11, 2026
Data Freshness
Fresh
Keywords
computational chemistry molecular modeling workflow
Sources and methodology