2 releases
| 0.0.2 | Nov 1, 2021 |
|---|---|
| 0.0.1 | Oct 15, 2021 |
#868 in Science
22 downloads per month
Used in graph_symmetry
22KB
282 lines
rust-chem
Rust Implementation of Algorithms in Cheminformatics.
Implemented
- a SMILES writer
smiles_writer.rs
lib.rs:
List of Algorithms
- SMILES writer
- ECFP
- Substructure Search
- Maximum Common Substructure