Repositories list

• CGsmiles

  Public
  Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across Multiple Resolutions

  Python

  •

  Apache License 2.0

  •2•5•7•3•Updated Jan 9, 2025Jan 9, 2025

• CGsmiles_examples

  Public
  Interactive examples and benchmarks for the CGsmiles notation

  0•0•0•0•Updated Jan 8, 2025Jan 8, 2025

• pysmiles

  Public
  A lightweight python-only library for reading and writing SMILES strings

  Python

  •

  Apache License 2.0

  •21•0•0•0•Updated Jan 7, 2025Jan 7, 2025

• polyply_regression_tests

  Public
  Regression tests and tutorial input files for the polyply software suite

  Python

  •

  Apache License 2.0

  •3•1•0•0•Updated Jun 24, 2023Jun 24, 2023