Decision Workspace
ffcharge vs cheq vs potentials
Side-by-side comparison of Rust crates
45
ffcharge
experimentalv0.2.1
A lightweight pure Rust library for fast, residue-based force field charge assignment (AMBER/CHARMM) in molecular modeling pipelines.
53
cheq
experimentalv0.5.1
A pure Rust library and CLI for fast, dynamic partial charge calculation via the QEq method.
42
potentials
experimentalv0.1.0
A lightweight Rust library for classical molecular dynamics potentials, providing modular force field components (LJ, bonds, angles, torsions) for major systems like DREIDING, AMBER, and GROMOS, with high-performance, branchless kernels in no-std scientific computing.
Core Metrics
| ffcharge | cheq | potentials | |
|---|---|---|---|
| Health Score | 45 | 53 | 42 |
| Total Downloads | 223 | 688 | 16 |
| 30d Downloads | 108 | 109 | 3 |
| Dependents | 2 | 4 | 0 |
| Releases | 3 | 6 | 1 |
| Last Updated | 30d ago | 32d ago | 71d ago |
| Age | 2m | 5m | 2m |
Health Breakdown
ffcharge
Maintenance
12
Quality
13
Community
7
Popularity
3
Documentation
10
cheq
Maintenance
18
Quality
14
Community
8
Popularity
3
Documentation
10
potentials
Maintenance
9
Quality
16
Community
6
Popularity
1
Documentation
10
Technical Details
| ffcharge | cheq | potentials | |
|---|---|---|---|
| Version | 0.2.1 | 0.5.1 | 0.1.0 |
| Stable (≥1.0) | ✗ No | ✗ No | ✗ No |
| License | MIT | MIT | MIT |
| Dependencies | 5 | 12 | 2 |
| Crate Size | 55KB | 62KB | 54KB |
| Features | 0 | 2 | 3 |
| Yanked % | 0.0% | 0.0% | 0.0% |
| Edition | 2024 | 2024 | 2024 |
| MSRV | — | — | — |
| Owners | 1 | 1 | 1 |
Links
Quick Verdict
- •cheq leads with a health score of 53/100, but none of the options score above 80.