Alternatives and similar repositories for balsa

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

• rapodaca / chemcore
  A cheminformatics toolkit for Rust.
  ☆77Updated 4 years ago
• rapodaca / purr
  Primitives for reading and writing the SMILES language in Rust.
  ☆26Updated 3 years ago
• rdkit-rs / rdkit
  RDKit Made Idiomatic for Rust
  ☆24Updated last year
• yesint / molar
  Repository for molar crate and its dependencies
  ☆45Updated this week
• rapodaca / dialect
  Documenting a subset of the SMILES language.
  ☆13Updated 3 years ago
• UnixJunkie / FASMIFRA
  Molecular Generation by Fast Assembly of SMILES Fragments
  ☆57Updated last year
• rareylab / RingDecomposerLib
  Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)
  ☆18Updated last year
• rdkit-rs / rdkit-sys
  Rust crate for linking against the RDKit C++ API
  ☆21Updated 2 years ago
• schrodinger / sketcher
  Schrödinger 2D Sketcher
  ☆22Updated this week
• nglviewer / mdsrv
  MD trajectory server
  ☆35Updated 2 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆128Updated 5 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆74Updated 2 months ago
• douweschulte / pdbtbx
  A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
  ☆67Updated 5 months ago
• willfinnigan / RetroBioCat
  ☆26Updated 2 years ago
• dftworks / dftworks
  ☆61Updated 3 weeks ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆92Updated 3 weeks ago
• lumol-org / lumol
  Universal extensible molecular simulation engine
  ☆208Updated 2 years ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆112Updated this week
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated 2 years ago
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆58Updated this week
• rcsb / py-mmcif
  mmCIF Core Access Library
  ☆50Updated this week
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆36Updated 3 weeks ago
• choderalab / perses
  Experiments with expanded ensembles to explore chemical space
  ☆199Updated 3 months ago
• emleddin / pdbxyz-xyzpdb
  Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
  ☆15Updated 4 years ago
• ashvardanian / USearchMolecules
  Searching for structural similarities across billions of molecules in milliseconds
  ☆98Updated 3 months ago
• lightdock / lightdock-rust
  A Rust implementation of the LightDock macromolecular docking software
  ☆29Updated last year
• HITS-MBM / gromacs-fda
  Force Distribution Analysis (FDA) for GROMACS
  ☆35Updated last year
• Bayer-Group / solvmate
  ☆16Updated 10 months ago
• samplchallenges / SAMPL7
  Challenge details, inputs, and results for the SAMPL7 series of challenges
  ☆48Updated 4 years ago
• maxall41 / RustSASA
  A Rust library for calculating the SASA for a protein. 5x faster than Freesasa. Based on the Shrake & Rupley algorithm.
  ☆18Updated last week