Commits · 1f94b4db29ee660512b3b4209c08faf76c370928 · EC504 Spring 2024 Group Projects / Group4 · GitLab

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group4
testcases
molecule_input.py

Apr 18, 2024
- add extra argument for specifying folder name · 8e446c27
  Hyun Soo Kim authored Apr 17, 2024
  
  8e446c27
Apr 12, 2024
- Implemented CLI for Molecule file generation script. · dba7590a
  Tristen Liu authored Apr 12, 2024
  
  dba7590a
Apr 01, 2024
- add timer to limit query frequency, change file name to cid · 913438d7
  Hyun Soo Kim authored Apr 01, 2024
  
  913438d7
- Updated script to query from URL for Chemical name and SMILES representation · b737fda1
  Tristen Liu authored Mar 31, 2024
  
  b737fda1
- removed variable values · 01689763
  Tristen Liu authored Apr 01, 2024
  
  01689763
- Implemented script to generate isomorphic test cases · bfa78270
  Tristen Liu authored Mar 31, 2024
  
  bfa78270
Mar 29, 2024
- 12 test molecules + Script for creating input files based on SMILES string · 5546011f
  Tristen Liu authored Mar 29, 2024
  
  5546011f

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