Releases: naik-aakash/lobster-database-paper-analysis-scripts
Releases · naik-aakash/lobster-database-paper-analysis-scripts
v1.0.6: Update README.md
CHANGELOG
- Update figure numbers to match revised manuscript in README.md
Rev_submission
This repo consists of all the scripts that allows recreating our publication: A Quantum-Chemical Bonding Database for Solid-State Materials
CHANGELOG
- update ML model section README.md to tackle package dependencies conflicts
- Updated Data_generation/Read_json scripts
- Added missing pymatgen version used for data validation and processing
- Added bandoverlaps.lobster analysis scripts in technical validation
Submission
Changelog
- Reformatted README.md to match manuscript flow
- Include code snippets to visualize data from json files
- Added links to unprocessed data repository to README.md
- Update comments in Technical validation scripts
Preprint
v1.0.3 Delete Read_data_records/.ipynb_checkpoints directory
Pre release
This repo allows to recreate our publication: A Quantum-Chemical Bonding Database for Solid-State Materials