No known security advisories.
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
80
Popularity
53
Adoption
63
Community
55
Provenance
0
How the maintenance status was determined
Last commit
25 days ago
Monthly downloads
22,783
•
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
22,783
Stars
428
Stars per 1k downloads
18.79
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
783
Month daily avg
759
Momentum
+3.2%
((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
28 days ago
Total releases
12
Releases/year
13.4
•
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
22,783
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
49.1
per 1k stars
Discussions
2.3
per 1k stars
Fork Ratio
71.7%
contrib / forks
Stale Release
No
PR Velocity
Quiet
Weekly Downloads
GitHub Stars
Not all downloads include detailed metadata. Breakdowns reflect the subset that does.
Downloads by OS
Linux
220
macOS
3
Windows
2
Python Versions
3.12
94.7%
213
3.11
3.1%
7
3.13
2.2%
5
Top Countries
1.
US
152
US
2.
CN
32
CN
3.
SG
28
SG
4.
GB
9
GB
5.
DE
8
DE
6.
NL
8
NL
7.
SE
7
SE
8.
DK
2
DK
9.
ES
2
ES
10.
IN
2
IN
Dependencies
14
- biotite ==1.4.0
- cython >=3.0.0
- cytoolz >=0.12.3
- hydride >=1.2.3
- numpy >=1.25.0
- pandas >=2.2
- py3dmol >=2.2.1
- pyarrow >=17.0.0
- pymol-remote >=0.0.5
- rdkit >=2024.3.5
- scipy >=1.13.1
- tqdm >=4.65.0
- typer >=0.12.5
- zstandard >=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 weeks ago
Last Commit
3 weeks ago
Latest Version
2.2.1
Total Releases
12
Contributors
33
Open PRs
6
Archived
No
Python Versions
3
Wheels
py3
Tracking Since
January 6, 2026
Data Updated
July 5, 2026
Data Freshness
Fresh