v0.1
Pre-release
Pre-release
What's Changed
- Add matchms with 0 scores into the output sctructure by @hechth in #10
- updated scatterplot by @zargham-ahmad in #11
- Updated boxplot by @zargham-ahmad in #14
- Added simulated_spectra_v1.msp by @wverastegui in #15
- Updated files within the 'filtered' and 'output_matching' dirs by @wverastegui in #16
- Updated simulated spectra, filtered data and matching tables. by @wverastegui in #18
- First iteration refactoring of the python scripts by @zargham-ahmad in #20
- Finalize plots for paper by @hechth in #19
New Contributors
- @hechth made their first contribution in #10
- @zargham-ahmad made their first contribution in #11
- @wverastegui made their first contribution in #15
Full Changelog: https://github.com/RECETOX/ei_spectra_predictions/commits/v0.1
Contributors
hechth, zargham-ahmad, and wverastegui