Monthly downloads
18.9K
Weekly downloads
3.5K
GitHub stars
11
Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
Latest Version
Requires Python
>=3.10
Licence
MIT
Last Release
3 days ago
First Release
June 30, 2025
Total Releases
172
Python Versions
3
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
Score breakdown - each component scores 0-100, weighted by percentage
Maintenance
90
Popularity
19
Adoption
42
Community
25
Provenance
100
How the maintenance status was determined
Last commit
23 days ago
Monthly downloads
18,930
•
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
18,930
Stars
11
Stars per 1k downloads
0.58
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
496
Month daily avg
631
Momentum
-21.5%
((week_daily_avg - month_daily_avg) / month_daily_avg) * 100More insights and metrics
Python version support tiers
requires_python
>=3.10
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
MIT
•
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
3 days ago
Total releases
172
Releases/year
132.7
•
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
2
Monthly downloads
18,930
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
-
per 1k stars
Discussions
-
per 1k stars
Fork Ratio
100.0%
contrib / forks
Stale Release
No
PR Velocity
Active
Not all downloads include detailed metadata. Breakdowns reflect the subset that does.
Downloads by OS
Linux
360
Windows
1
Python Versions
3.12
47.9%
173
3.11
29.4%
106
3.10
22.2%
80
3.13
0.6%
2
Top Countries
1.
US
381
US
2.
FR
70
FR
3.
DE
20
DE
4.
CN
2
CN
5.
HK
2
HK
6.
TW
2
TW
7.
GB
1
GB
8.
PL
1
PL
9.
SG
1
SG
Weekly Downloads
GitHub Stars
Dependencies
13
- graphviz >=0.20.0
- matplotlib >=3.5.0
- mmcif >=0.92.0
- mmcif-pdbx >=2.0.1
- networkx >=2.8.0
- numpy >=1.23.0
- openbabel-wheel >=3.1.1.22
- pdbfixer-wheel >=1.12.3
- pdbreader >=0.1.0
- pillow >=9.0.0
- pybel >=0.15.5
- rdkit >=2026.3.2
- tkinter-async-execute >=1.4.0
38 optional dependencies
-
aiofiles>=23.0.0[all]extra == "all"
-
aiofiles>=23.0.0[server]extra == "server"
-
black>=21.0.0[dev]extra == "dev"
-
build>=0.8.0[build]extra == "build"
-
coverage>=7.10.0[dev]extra == "dev"
-
flake8>=3.8.0[dev]extra == "dev"
-
flask>=2.3.0[all]extra == "all"
-
flask>=2.3.0[server]extra == "server"
-
flask-cors>=4.0.0[server]extra == "server"
-
flask-cors>=4.0.0[all]extra == "all"
-
isort>=5.0.0[dev]extra == "dev"
-
mypy>=0.800[dev]extra == "dev"
-
nicegui<4.0.0,>=3.16.0[server]extra == "server"
-
nicegui<4.0.0,>=3.16.0[all]extra == "all"
-
pandas-stubs>=1.0.0[dev]extra == "dev"
-
pre-commit>=2.10.0[dev]extra == "dev"
-
psutil>=7.0.0[dev]extra == "dev"
-
pyinstaller>=5.0.0[build]extra == "build"
-
pytest>=6.0.0[dev]extra == "dev"
-
pytest-asyncio>=0.23.0[dev]extra == "dev"
-
pytest-cov>=7.0.0[dev]extra == "dev"
-
pytest-mock>=3.0.0[dev]extra == "dev"
-
ruff>=0.0.241[dev]extra == "dev"
-
selenium>=4.20.0[dev]extra == "dev"
-
setuptools-scm>=6.2.0[build]extra == "build"
-
sphinx>=3.0.0[docs]extra == "docs"
-
sphinx-autobuild>=2024.10.03[docs]extra == "docs"
-
sphinx-autodoc-typehints>=1.10.0[docs]extra == "docs"
-
sphinx-book-theme>=1.1.4[docs]extra == "docs"
-
sphinx-copybutton>=0.5.2[docs]extra == "docs"
-
sphinx-rtd-theme>=0.5.0[docs]extra == "docs"
-
sphinx-sitemap>=2.7.2[docs]extra == "docs"
-
sphinx-toolbox>=4.0.0[docs]extra == "docs"
-
sphinxcontrib-bibtex>=2.6.5[docs]extra == "docs"
-
twine>=4.0.0[build]extra == "build"
-
types-pillow>=8.0.0[dev]extra == "dev"
-
types-requests>=2.0.0[dev]extra == "dev"
-
types-setuptools>=57.0.0[dev]extra == "dev"
Used By
0
Not used by any tracked packages
Repository details
GitHub Topics
Pdb
Protein Data Bank
Structural Biology
Protein Ligand Interactions
Bioinformatics
Bioinformatics Tool
Computer Aided Drug Design
Crystallography
Drug Discovery
Hydrogen Bonds
Molecular Dynamics
Molecular Dynamics Simulation
Molecular Interactions
Noncovalent Interactions
Pi Interaction
Halogen Bonds
Chemistry
Protein Dna Interactions
Protein Protein Interaction
Structural Bioinformatics
Data and sources
Tracking Since
September 26, 2026
Data Updated
October 11, 2026
Data Freshness
Fresh