Monthly downloads
2.6K
Weekly downloads
962
GitHub stars
277
Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
Latest Version
Requires Python
>=3.11
Licence
LicenseRef-Acellera-Not-for-Profit
Last Release
3 days ago
First Release
September 29, 2020
Total Releases
40
Python Versions
3
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
Score breakdown - each component scores 0-100, weighted by percentage
Maintenance
90
Popularity
52
Adoption
34
Community
40
Provenance
0
How the maintenance status was determined
Last commit
10 days ago
Monthly downloads
2,562
•
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
2,562
Stars
277
Stars per 1k downloads
108.12
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
137
Month daily avg
85
Momentum
—
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100Momentum 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
>=3.11
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
LicenseRef-Acellera-Not-for-Profit
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
2 days ago
Total releases
40
Releases/year
6.6
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
15
Monthly downloads
2,562
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
42
Issue Burden
28.9
per 1k stars
Discussions
0.0
per 1k stars
Fork Ratio
25.0%
contrib / forks
Stale Release
No
PR Velocity
Quiet
Not all downloads include detailed metadata. Breakdowns reflect the subset that does.
Downloads by OS
No OS data available
Python Versions
No Python version data available
Top Countries
1.
US
43
US
2.
DE
20
DE
3.
FR
3
FR
Weekly Downloads
GitHub Stars
Dependencies
17
-
ambertools-unofficial
>=26.0.0
sys_platform != "win32" and sys_platform != "emscripten"
-
deeptime
>=0.4.5
sys_platform != "emscripten"
-
h5py
>=3.15.1
sys_platform != "emscripten"
- joblib >=1.5.3
-
jobqueues
>=1.0.13
sys_platform != "emscripten"
- matplotlib >=3.10.8
- moleculekit >=1.16.11
- natsort >=8.4.0
- networkx >=3.4.2
- numpy >=2.2.6
- pandas >=2.3.3
- parmed >=4.3.1
- pint >=0.24.4
- protocolinterface >=0.4.7
- scikit-learn >=1.7.2
- scipy >=1.15.3
- tqdm >=4.67.3
23 optional dependencies
-
acellera-openff-amber-ff-ports>=2025.9.0[openff]extra == "openff"
-
acellera-openff-interchange[openff]extra == "openff"
-
acellera-openff-nagl[nagl]extra == "nagl"
-
acellera-openff-nagl-models[nagl]extra == "nagl"
-
acellera-openff-toolkit>=0.18.0.post2[openff]extra == "openff"
-
acellera-openff-units>=0.3.2.post3[openff]extra == "openff"
-
acellera-openff-utilities>=0.1.16.post1[openff]extra == "openff"
-
acellera-openforcefields[openff]extra == "openff"
-
acellera-openmmforcefields[openff]extra == "openff"
-
cachetools>=7.1.2[openff]extra == "openff"
-
ipython[interactive]extra == "interactive"
-
ipywidgets>=8.1.8[interactive]extra == "interactive"
-
jupyter-console[interactive]extra == "interactive"
-
lxml>=5.0.0[openff]extra == "openff"
-
nglview>=4.0.1[interactive]extra == "interactive"
-
notebook[interactive]extra == "interactive"
-
openmm[openff]extra == "openff"
-
pydantic>=2.13.4[openff]extra == "openff"
-
pymol-open-source[pymol]python_version < "3.14" and extra == "pymol"
-
python-constraint2>=2.6[openff]extra == "openff"
-
pytorch-lightning[nagl]extra == "nagl"
-
torch[nagl]extra == "nagl"
-
xmltodict>=1.0.4[openff]extra == "openff"
Used By
0
Not used by any tracked packages
Repository details
GitHub Topics
Data and sources
Tracking Since
September 26, 2026
Data Updated
October 11, 2026
Data Freshness
Fresh