All notable changes to this project will be documented in this file.
- 20_12_2024:
- New modern GUI (Graphical User Interface).
- Adding dependencies to requirements.txt
- Removing MacOS and Linux support 😢 (this is just good-bye).
- Refactoring duplicatas removal, now by sames SPLASH key.
- Refactoring filtering logic with GC case.
- Adding logs to GUI for monitoring suppressed spectrum.
- Now completing NAMES and descriptor from RDkit and PubChem datas (offline).
- Now completing Classyfire and NPclassifier from local datas.
- Auto calculating chunk size for multi threading pool.
- Now deleting spectrum with no SMILES no InChI AND no inchikey.
- Refactoring .json reader for standard ISO/IEC 20802-2:2016 .json and non-standard formats.
- Moving all globals variables to a single file.