Release v1.0.0

What's Changed

• Develop by @jcorreia11 in #1
• Develop by @jcorreia11 in #2
• Develop by @jcorreia11 in #3
• Patch evaluators by @jcorreia11 in #4
• ADD tests and compound quality case study by @jcorreia11 in #5
• Develop (add tests + small changes) by @jcorreia11 in #6
• CLI implementation by @jcorreia11 in #7
• Develop (CLI implementation) by @jcorreia11 in #8
• Add results visualization module by @jcorreia11 in #9
• Check mutator by @jcorreia11 in #10
• Multiprocessing by @jcorreia11 in #11
• Patch results by @jcorreia11 in #12
• Develop by @jcorreia11 in #13
• Develop by @jcorreia11 in #14
• Develop by @jcorreia11 in #15
• Develop by @jcorreia11 in #16
• [FIX] only allow products with len > 3 (avoids O and Cl for instance) by @jcorreia11 in #17
• Develop by @jcorreia11 in #18
• Develop by @jcorreia11 in #19
• [ADD] more info added on how to use ReactEA by @jcorreia11 in #20
• Develop by @jcorreia11 in #21
• Develop by @jcorreia11 in #22
• Develop by @jcorreia11 in #23
• General refactoring by @jcorreia11 in #24
• Develop by @jcorreia11 in #25
• Fix CI by @jcorreia11 in #26
• Cli by @jcorreia11 in #27
• Develop by @jcorreia11 in #28
• Docking evalf by @jcorreia11 in #29
• [FIX] docking to minimize and worst_fitness to 50 by @jcorreia11 in #31
• Develop by @jcorreia11 in #30
• Update eas by @jcorreia11 in #32
• Hotfix mutator by @jcorreia11 in #33
• [ADD] product sanitization to avoid invalid ones by @jcorreia11 in #34
• [FIX] avoid errors when standardization is not possible by @jcorreia11 in #35
• [FIX] allow odd population size by @jcorreia11 in #36
• [FIX] allow odd population size by @jcorreia11 in #37
• [ADD] termination by max generations or by generations without improv… by @jcorreia11 in #38
• Fix ga reproduction by @jcorreia11 in #39
• [FIX] return deepcopy of solutions to avoid altering original solutio… by @jcorreia11 in #40
• Update mutator by @jcorreia11 in #41
• [FIX] stopping criterion by evaluations by @jcorreia11 in #42
• [ADD] tolerance in similarity as an arg in configs by @jcorreia11 in #43
• [FIX] get_results to return all solutions by @jcorreia11 in #44
• [FIX] avoid inadequate termination reaching when maximization by @jcorreia11 in #45
• Fix termination criterion by @jcorreia11 in #46
• [FIX] avoid inadequate termination reaching when maximization by @jcorreia11 in #47
• [ADD] option between configuration file info and constants for numeri… by @jcorreia11 in #48
• [FIX] change simmulated annealing termination criterion to StoppingBy… by @jcorreia11 in #49
• Wrappers by @jcorreia11 in #50
• [ADD] canonicalize compounds inside Compound class by @jcorreia11 in #51
• [ADD] allow MO EAs in SO settings by @jcorreia11 in #52
• [REFACTOR] overwrite NSGAIII get_results method to return all solutions by @jcorreia11 in #53
• Refactor Pathway Management to Use pathlib by @jcorreia11 in #57
• Workflows by @jcorreia11 in #56

New Contributors

• @jcorreia11 made their first contribution in #1

Full Changelog: https://github.com/BioSystemsUM/ReactEA/commits/v1.0.0