Changelog

v0.1.5 (2024-11-19)

Update default chemical shift back-calculator errors to the ones referred to in 10.1039/C9SC06561J

v0.1.4 (2023-08-03)

Restore CLI capabilities and linting

v0.1.3 (2023-08-03)

Fix bug associated with optimize

v0.1.2 (2023-07-10)

Fix bug associated with old numpy version

v0.1.1 (2023-04-12)

Fix scoring and optimization in Rh module

v0.1.0 (2023-01-27)

Subsetting subclient to create optimized ensembles from indices results

v0.0.10 (2023-01-27)

Optimization subclient functionalities

v0.0.9 (2022-10-04)

CS scoring functions clean and test
Integrate CS BC by SPyCi-PDB (UCBShift) if needed

v0.0.8 (2022-09-30)

SAXS scoring functions clean and test
Integrate SAXS BC by SPyCi-PDB if needed

v0.0.7 (2022-09-28)

JC and smFRET scoring functions
Integrate JC and smFRET BC by SPyCi-PDB if needed

v0.0.6 (2022-09-26)

Fix tests

v0.0.5 (2022-09-26)

Update requirements.txt for tests
Lint and passing general tests

v0.0.4 (2022-09-23)

Score module (#4)
Main logic for scoring functions in core/components directory
Installation of IDPConformerGenerator on top of X-EISDv2
Update README
Installation of SPyCi-PDB on top of X-EISDv2
ASCII art

v0.0.3 (2022-08-30)

Installation instructions (#3)

v0.0.2 (2022-08-30)

Core CLI and libraries (#2)
Rename docs for README and setup.py

v0.0.1 (2022-08-29)

Housekeeping items (#1)
Building based on python-project-skeleton
Renaming and changing tests structures