v2.3.0

What's Changed

• add pyproject.toml by @rvhonorato in #78
• Add pypi publish pipeline by @rvhonorato in #80
• remove hardcoded version by @rvhonorato in #82

Full Changelog: v2.2.8...v2.3.0

v2.2.8

What's Changed

• Bump pandas from 2.2.1 to 2.2.2 by @dependabot in #62
• Bump numpy from 1.26.4 to 2.0.0 by @dependabot in #63
• Bump numpy from 2.0.0 to 2.0.1 by @dependabot in #64
• Bump pandas from 2.2.2 to 2.2.3 by @dependabot in #67
• update CI by @rvhonorato in #74
• incorrect peak predictions in dq sq experiment by @rvhonorato in #76

Full Changelog: v2.2.7...v2.2.8

v2.2.7

What's Changed

• Bump pandas from 2.2.0 to 2.2.1 by @dependabot in #60
• Add Dockerfile and Docker publish workflow by @rvhonorato in #61

Full Changelog: v2.2.6...v2.2.7

v2.2.6

What's Changed

• Bump pandas from 2.0.1 to 2.0.2 by @dependabot in #42
• Bump numpy from 1.24.3 to 1.25.0 by @dependabot in #43
• Bump pandas from 2.0.2 to 2.0.3 by @dependabot in #44
• Bump numpy from 1.25.0 to 1.25.1 by @dependabot in #45
• Bump numpy from 1.25.1 to 1.25.2 by @dependabot in #46
• Bump pandas from 2.0.3 to 2.1.0 by @dependabot in #47
• Bump numpy from 1.25.2 to 1.26.0 by @dependabot in #48
• Bump pandas from 2.1.0 to 2.1.1 by @dependabot in #49
• Bump numpy from 1.26.0 to 1.26.1 by @dependabot in #50
• Bump pandas from 2.1.1 to 2.1.2 by @dependabot in #51
• Bump pandas from 2.1.2 to 2.1.3 by @dependabot in #53
• Bump numpy from 1.26.1 to 1.26.2 by @dependabot in #52
• Bump pandas from 2.1.3 to 2.1.4 by @dependabot in #54
• Bump numpy from 1.26.2 to 1.26.3 by @dependabot in #55
• Bump pandas from 2.1.4 to 2.2.0 by @dependabot in #56
• Bump numpy from 1.26.3 to 1.26.4 by @dependabot in #57
• Refactor _make_iter method by @rvhonorato in #58
• Update version to 2.2.6 by @rvhonorato in #59

Full Changelog: v2.2.5...v2.2.6

v2.2.5

What's Changed

• Bump pandas from 2.0.0 to 2.0.1 by @dependabot in #40
• Bump numpy from 1.24.2 to 1.24.3 by @dependabot in #39
• bugfix wrong experiment definition for C-H experiment by @rvhonorato in #41

Full Changelog: v2.2.4...v2.2.5

v2.2.4

What's Changed

• Refactor and simplify use of atom_relation by @rvhonorato in #38

Full Changelog: v2.2.3...v2.2.4

v2.2.3

What's Changed

• Upgrade code to Python3 by @rvhonorato in #1
• Refactor as a package by @rvhonorato in #2
• Add logging by @rvhonorato in #3
• Create init.py by @rvhonorato in #4
• Fixes bugs with DQ and distance related experiments by @rvhonorato in #5
• fix packaging by @rvhonorato in #6
• Rev label bugfix by @rvhonorato in #7
• replace_bmrb bugfix by @rvhonorato in #8
• add bt_seq_start (offset) feature by @rvhonorato in #9
• Major code redesign by @rvhonorato in #10
• Bugfix for matching numbering from sequence and chemical shift table by @rvhonorato in #14
• Add missing catalog to manifest by @rvhonorato in #16
• Bump numpy from 1.22.3 to 1.23.1 by @dependabot in #22
• Bump pandas from 1.4.2 to 1.4.3 by @dependabot in #21
• Bump numpy from 1.23.1 to 1.23.2 by @dependabot in #23
• Bump pandas from 1.4.3 to 1.4.4 by @dependabot in #24
• Bump numpy from 1.23.2 to 1.23.3 by @dependabot in #25
• Bump pandas from 1.4.4 to 1.5.0 by @dependabot in #26
• Bump numpy from 1.23.3 to 1.23.4 by @dependabot in #27
• Bump pandas from 1.5.0 to 1.5.1 by @dependabot in #28
• Bump numpy from 1.23.4 to 1.24.1 by @dependabot in #31
• Bump pandas from 1.5.1 to 1.5.2 by @dependabot in #29
• Bump pandas from 1.5.2 to 1.5.3 by @dependabot in #32
• Bump numpy from 1.24.1 to 1.24.2 by @dependabot in #33
• Bump pandas from 1.5.3 to 2.0.0 by @dependabot in #34
• Bugfix sequence start parameter not being used by @rvhonorato in #35
• update version by @rvhonorato in #36

New Contributors

• @rvhonorato made their first contribution in #1
• @dependabot made their first contribution in #22

Full Changelog: https://github.com/haddocking/fandas/commits/v2.2.3