rapodaca / purrLinks
Primitives for reading and writing the SMILES language in Rust.
☆26Updated 3 years ago
Alternatives and similar repositories for purr
Users that are interested in purr are comparing it to the libraries listed below
Sorting:
- Reference implementation for the Balsa molecular line notation.☆18Updated last year
- A cheminformatics toolkit for Rust.☆73Updated 4 years ago
- RDKit Made Idiomatic for Rust☆24Updated 10 months ago
- Universal extensible molecular simulation engine☆203Updated last year
- ☆61Updated last month
- A collection of examples leveraging the ndarray ecosystem.☆18Updated 5 years ago
- ☆42Updated 3 weeks ago
- A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.☆64Updated 2 months ago
- Fast stochastic simulator for chemical reaction networks☆46Updated last week
- Repository for molar crate and its dependencies☆36Updated 2 weeks ago
- Rust bindings to chemfiles☆14Updated last week
- symmetric matrices algorithms to compute eigenvalue/eigenvector pairs☆43Updated 3 years ago
- protein utilities in Rust☆32Updated last week
- Documenting a subset of the SMILES language.☆13Updated 3 years ago
- Rust crate for linking against the RDKit C++ API☆21Updated 2 years ago
- Benchmarking common tasks on proteins in various languages and packages☆42Updated 4 years ago
- Dual Number library for Rust☆17Updated 4 years ago
- The LoCoHD metric for protein-protein structure comparison☆16Updated last month
- [WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility☆11Updated 2 years ago
- A hydrogen atom orbital wave function renderer based on random sampling☆29Updated 2 years ago
- rust api for vega-lite v3☆42Updated 4 years ago
- Modelling the new Lead-Copper apatite proposed room temperature supeconductor☆31Updated 2 years ago
- Rust crate for numpy NPY files☆30Updated 5 months ago
- Easy opaque typedef for Rust programming language.☆13Updated 6 years ago
- A Rust implementation of the LightDock macromolecular docking software☆29Updated last year
- A library of to show data (in browser, evcxr_jupyter) as table, chart...☆29Updated 6 months ago
- Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)☆18Updated last year
- Full-service command-line parsing☆74Updated 7 months ago
- Python-based library for working with computational chemistry files☆21Updated 7 months ago
- Integer sets as fast, sorted, integer ranges with full set operations☆99Updated last week