Decision Workspace
gasteiger-rs vs opensmiles vs dreid-typer
Side-by-side comparison of Rust crates
44
gasteiger-rs
experimentalv0.9.0
A lightweight, zero-dependency Rust crate for Gasteiger-Marsili PEOE partial atomic charge assignment.
53
opensmiles
experimentalv0.1.3
A SMILES parser following the OpenSMILES specification
52
dreid-typer
experimentalv0.5.0
A pure Rust library for DREIDING atom typing and molecular topology perception.
Core Metrics
| gasteiger-rs | opensmiles | dreid-typer | |
|---|---|---|---|
| Health Score | 44 | 53 | 52 |
| Total Downloads | 246 | 179 | 784 |
| 30d Downloads | 60 | 109 | 106 |
| Dependents | 0 | 7 | 4 |
| Releases | 1 | 4 | 6 |
| Last Updated | 37d ago | 24d ago | 42d ago |
| Age | 1m | 1m | 5m |
Health Breakdown
gasteiger-rs
Maintenance
11
Quality
15
Community
5
Popularity
3
Documentation
10
opensmiles
Maintenance
12
Quality
15
Community
8
Popularity
3
Documentation
15
dreid-typer
Maintenance
17
Quality
14
Community
8
Popularity
3
Documentation
10
Technical Details
| gasteiger-rs | opensmiles | dreid-typer | |
|---|---|---|---|
| Version | 0.9.0 | 0.1.3 | 0.5.0 |
| Stable (≥1.0) | ✗ No | ✗ No | ✗ No |
| License | MIT OR Apache-2.0 | MIT | MIT |
| Dependencies | 0 | 4 | 3 |
| Crate Size | 6KB | 55KB | 80KB |
| Features | 0 | 3 | 0 |
| Yanked % | 0.0% | 0.0% | 0.0% |
| Edition | 2024 | 2021 | 2024 |
| MSRV | — | 1.70 | — |
| Owners | 1 | 1 | 1 |
Links
Quick Verdict
- •opensmiles leads with a health score of 53/100, but none of the options score above 80.
- •dreid-typer has the most downloads (784), suggesting wider adoption.