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Releases: naik-aakash/lobster-database-paper-analysis-scripts

v1.0.6: Update README.md

21 Jul 15:21
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CHANGELOG

  • Update figure numbers to match revised manuscript in README.md

Rev_submission

21 Jul 14:52
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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

23 Apr 09:04
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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

05 Apr 13:15
1f71703
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v1.0.3

Delete Read_data_records/.ipynb_checkpoints directory

Pre release

03 Apr 14:24
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Pre-release

This repo allows to recreate our publication: A Quantum-Chemical Bonding Database for Solid-State Materials