Package Insights
Package Risks
- No releases in 108 days despite active commits
Score breakdown - each component scores 0–100, weighted by percentage
Maintenance
80
Popularity
53
Adoption
52
Community
50
How the maintenance status was determined
Last commit
29 days ago
Monthly downloads
16,975
•
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
16,975
Stars
417
Stars per 1k downloads
24.57
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
520
Month daily avg
566
Momentum
-8.1%
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100Python version support tiers
requires_python
>=3.11
Cutting Edge
Minimum supported version is 3.12 or newer
•
Modern
Minimum supported version is 3.9, 3.10, or 3.11
Legacy
Supports 3.8 or older (or Python 2)
Unknown
No requires_python specified or unparseable
License categories
License
BSD 3-Clause License
•
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
137 days ago
Total releases
11
Releases/year
15.2
•
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
33
Monthly downloads
16,975
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
51
Issue Burden
50.4
per 1k stars
Discussions
2.4
per 1k stars
Fork Ratio
78.6%
contrib / forks
Stale Release
108d
PR Velocity
Quiet
Weekly Downloads
GitHub Stars
Not all downloads include detailed metadata. Breakdowns reflect the subset that does.
Downloads by OS
Linux
181
Python Versions
3.12
72.4%
131
3.11
27.1%
49
3.14
0.6%
1
Top Countries
1.
US
158
US
2.
AU
6
AU
3.
CA
4
CA
4.
CN
4
CN
5.
SG
4
SG
6.
DK
2
DK
7.
KR
2
KR
8.
NL
2
NL
9.
ID
1
ID
Dependencies
14
- biotite ==1.4.0
- cython <4,>=3.0.0
- cytoolz <1,>=0.12.3
- hydride <2,>=1.2.3
- numpy <3,>=1.25.0
- pandas <2.4,>=2.2
- py3dmol <3,>=2.2.1
- pyarrow ==17.0.0
- pymol-remote >=0.0.5
- rdkit <2025.9,>=2024.3.5
- scipy <2,>=1.13.1
- tqdm <5,>=4.65.0
- typer <1,>=0.12.5
- zstandard <1,>=0.21.0
20 optional dependencies
- ase[ase]
- ase-db-backends[ase]
- beartype[ml]
- einops[ml]
- ipykernel[dev]
- jaxtyping[ml]
- lmdb[ase]
- matplotlib[docs]
- openbabel-wheel[openbabel]
- pydata-sphinx-theme[docs]
- pytest[dev]
- pytest-benchmark[dev]
- pytest-cov[dev]
- pytest-dotenv[dev]
- pytest-testmon[dev]
- pytest-xdist[dev]
- ruff[dev]
- sphinx[docs]
- sphinx-gallery[docs]
- torch[ml]
Used By
1
Package Information
License
BSD 3-Clause License
First Release
August 15, 2025
Last Release
4 months ago
Last Commit
4 weeks ago
Latest Version
2.1.2
Total Releases
11
Contributors
33
Open PRs
3
Archived
No
Python Versions
3
Wheels
py3
Topics
-
Tracking Since
January 6, 2026
Data Updated
May 3, 2026
Data Freshness
Fresh