Alternatives and similar repositories for purr

Users that are interested in purr are comparing it to the libraries listed below

• metamolecular / balsa
  Reference implementation for the Balsa molecular line notation.
  ☆19Updated last year
• rapodaca / chemcore
  A cheminformatics toolkit for Rust.
  ☆77Updated 4 years ago
• althonos / pubchem.rs
  Rust data structures and client for the PubChem REST API
  ☆14Updated 2 years ago
• rdkit-rs / rdkit
  RDKit Made Idiomatic for Rust
  ☆24Updated last year
• rdkit-rs / rdkit-sys
  Rust crate for linking against the RDKit C++ API
  ☆21Updated 2 years ago
• douweschulte / pdbtbx
  A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
  ☆66Updated 4 months ago
• lumol-org / lumol
  Universal extensible molecular simulation engine
  ☆206Updated last year
• yesint / molar
  Repository for molar crate and its dependencies
  ☆37Updated last week
• Armavica / rebop
  Fast stochastic simulator for chemical reaction networks
  ☆46Updated this week
• chemfiles / chemfiles.rs
  Rust bindings to chemfiles
  ☆15Updated last month
• ChemAI-Lab / molpipx
  ☆44Updated 2 months ago
• rust-ndarray / ndarray-examples
  A collection of examples leveraging the ndarray ecosystem.
  ☆18Updated 5 years ago
• dftworks / dftworks
  ☆61Updated 2 months ago
• cbeuw / iiiD6
  A hydrogen atom orbital wave function renderer based on random sampling
  ☆29Updated 2 years ago
• ferritin-bio / ferritin
  protein utilities in Rust
  ☆32Updated last month
• rapodaca / dialect
  Documenting a subset of the SMILES language.
  ☆13Updated 3 years ago
• seatonullberg / velvet
  [WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
  ☆11Updated 2 years ago
• althonos / moclo
  Modular cloning simulation with the MoClo framework in Python
  ☆12Updated 3 years ago
• jgreener64 / pdb-benchmarks
  Benchmarking common tasks on proteins in various languages and packages
  ☆42Updated 4 years ago
• felipeZ / eigenvalues
  symmetric matrices algorithms to compute eigenvalue/eigenvector pairs
  ☆45Updated 3 years ago
• fazekaszs / loco_hd
  The LoCoHD metric for protein-protein structure comparison
  ☆15Updated 2 months ago
• novacrazy / dual_num
  Dual Number library for Rust
  ☆17Updated 4 years ago
• It4innovations / hyperqueue
  User-friendly Scheduler for sub-node tasks for HPC systems
  ☆501Updated this week
• ExpHP / npyz
  Rust crate for numpy NPY files
  ☆30Updated 7 months ago
• lightdock / lightdock-rust
  A Rust implementation of the LightDock macromolecular docking software
  ☆29Updated last year
• MolQL / molql
  Molecular Query Language
  ☆35Updated last year
• rcsb / mmtf
  The specification of the MMTF format for biological structures
  ☆44Updated last year
• cdd / mixtures
  ☆13Updated 4 months ago
• spirali / nelsie
  Framework for Creating Slides
  ☆57Updated this week
• thenlevy / ensnano
  ENSnano, a 3D graphical application for DNA nanostructures.
  ☆52Updated 2 years ago