diff --git a/src/poli/objective_repository/albuterol_similarity/register.py b/src/poli/objective_repository/albuterol_similarity/register.py index 86ee0b50..8f0bb099 100644 --- a/src/poli/objective_repository/albuterol_similarity/register.py +++ b/src/poli/objective_repository/albuterol_similarity/register.py @@ -213,14 +213,3 @@ def create( ) return albuterol_similarity_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - AlbuterolSimilarityProblemFactory(), - name="albuterol_similarity", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/aloha/register.py b/src/poli/objective_repository/aloha/register.py index 12e56b8c..988cbd23 100644 --- a/src/poli/objective_repository/aloha/register.py +++ b/src/poli/objective_repository/aloha/register.py @@ -218,18 +218,3 @@ def create( ) return aloha_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - # Once we have created a simple conda enviroment - # (see the environment.yml file in this folder), - # we can register our problem s.t. it uses - # said conda environment. - aloha_problem_factory = AlohaProblemFactory() - register_problem( - aloha_problem_factory, - conda_environment_name="poli__base", - # force=True - ) diff --git a/src/poli/objective_repository/amlodipine_mpo/register.py b/src/poli/objective_repository/amlodipine_mpo/register.py index 1b7cb425..eab1b686 100644 --- a/src/poli/objective_repository/amlodipine_mpo/register.py +++ b/src/poli/objective_repository/amlodipine_mpo/register.py @@ -208,14 +208,3 @@ def create( ) return amlodipine_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - AmlodipineMPOProblemFactory(), - name="amlodipine_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/celecoxib_rediscovery/register.py b/src/poli/objective_repository/celecoxib_rediscovery/register.py index 26735616..a8d40f5b 100644 --- a/src/poli/objective_repository/celecoxib_rediscovery/register.py +++ b/src/poli/objective_repository/celecoxib_rediscovery/register.py @@ -211,14 +211,3 @@ def create( ) return celecoxib_rediscovery_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - CelecoxibRediscoveryProblemFactory(), - name="celecoxib_rediscovery", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/deco_hop/register.py b/src/poli/objective_repository/deco_hop/register.py index 9a1e4aea..a100c328 100644 --- a/src/poli/objective_repository/deco_hop/register.py +++ b/src/poli/objective_repository/deco_hop/register.py @@ -209,14 +209,3 @@ def create( ) return deco_hop_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - DecoHopProblemFactory(), - name="deco_hop", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/dockstring/register.py b/src/poli/objective_repository/dockstring/register.py index f62958fe..e851ceea 100644 --- a/src/poli/objective_repository/dockstring/register.py +++ b/src/poli/objective_repository/dockstring/register.py @@ -271,13 +271,3 @@ def create( dockstring_problem = Problem(black_box=dockstring_black_box, x0=x0) return dockstring_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - dockstring_problem_factory = DockstringProblemFactory() - register_problem( - dockstring_problem_factory, - conda_environment_name="poli__dockstring", - ) diff --git a/src/poli/objective_repository/drd2_docking/register.py b/src/poli/objective_repository/drd2_docking/register.py index 6915c54e..23962c4c 100644 --- a/src/poli/objective_repository/drd2_docking/register.py +++ b/src/poli/objective_repository/drd2_docking/register.py @@ -209,14 +209,3 @@ def create( ) return drd2_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - DRD2ProblemFactory(), - name="drd2_docking", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/drd3_docking/register.py b/src/poli/objective_repository/drd3_docking/register.py index ce9a2cd8..e6557fc7 100644 --- a/src/poli/objective_repository/drd3_docking/register.py +++ b/src/poli/objective_repository/drd3_docking/register.py @@ -17,7 +17,6 @@ from poli.core.chemistry.tdc_black_box import TDCBlackBox from poli.core.problem import Problem from poli.core.util.chemistry.string_to_molecule import translate_smiles_to_selfies -from poli.core.util.isolation.instancing import instance_function_as_isolated_process from poli.core.util.seeding import seed_numpy, seed_python from poli.objective_repository.drd3_docking.information import drd3_docking_info @@ -178,14 +177,3 @@ def create( ) return drd3_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - DRD3ProblemFactory(), - name="drd3_docking", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/fexofenadine_mpo/register.py b/src/poli/objective_repository/fexofenadine_mpo/register.py index c729c40a..5cf09978 100644 --- a/src/poli/objective_repository/fexofenadine_mpo/register.py +++ b/src/poli/objective_repository/fexofenadine_mpo/register.py @@ -206,14 +206,3 @@ def create( ) return fexofenadine_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - FexofenadineMPOProblemFactory(), - name="fexofenadine_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/foldx_rfp_lambo/register.py b/src/poli/objective_repository/foldx_rfp_lambo/register.py index cdae6474..4dc011c5 100644 --- a/src/poli/objective_repository/foldx_rfp_lambo/register.py +++ b/src/poli/objective_repository/foldx_rfp_lambo/register.py @@ -104,14 +104,3 @@ def create( x0 = black_box.inner_function.x0 return Problem(black_box, x0) - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - rfp_problem_factory = FoldXRFPLamboProblemFactory() - register_problem( - rfp_problem_factory, - conda_environment_name="poli__lambo", - force=True, - ) diff --git a/src/poli/objective_repository/foldx_sasa/register.py b/src/poli/objective_repository/foldx_sasa/register.py index 72e8582e..b6df5b6b 100644 --- a/src/poli/objective_repository/foldx_sasa/register.py +++ b/src/poli/objective_repository/foldx_sasa/register.py @@ -287,13 +287,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - foldx_problem_factory = FoldXSASAProblemFactory() - register_problem( - foldx_problem_factory, - conda_environment_name="poli__protein", - ) diff --git a/src/poli/objective_repository/foldx_stability/register.py b/src/poli/objective_repository/foldx_stability/register.py index 4194e404..fe1af98e 100644 --- a/src/poli/objective_repository/foldx_stability/register.py +++ b/src/poli/objective_repository/foldx_stability/register.py @@ -277,13 +277,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - foldx_problem_factory = FoldXStabilityProblemFactory() - register_problem( - foldx_problem_factory, - conda_environment_name="poli__protein", - ) diff --git a/src/poli/objective_repository/foldx_stability_and_sasa/register.py b/src/poli/objective_repository/foldx_stability_and_sasa/register.py index 5efe0d39..d0d5aa2d 100644 --- a/src/poli/objective_repository/foldx_stability_and_sasa/register.py +++ b/src/poli/objective_repository/foldx_stability_and_sasa/register.py @@ -291,13 +291,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - foldx_problem_factory = FoldXStabilityAndSASAProblemFactory() - register_problem( - foldx_problem_factory, - conda_environment_name="poli__protein", - ) diff --git a/src/poli/objective_repository/gfp_cbas/register.py b/src/poli/objective_repository/gfp_cbas/register.py index 057651e8..084e26a2 100644 --- a/src/poli/objective_repository/gfp_cbas/register.py +++ b/src/poli/objective_repository/gfp_cbas/register.py @@ -148,28 +148,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - gfp_problem_factory = GFPCBasProblemFactory() - register_problem( - gfp_problem_factory, - conda_environment_name="poli__protein_cbas", - ) - # NOTE: default problem is GP problem - gfp_problem_factory.create(seed=12) - # instantiate different types of CBas problems: - gfp_problem_factory_vae = GFPCBasProblemFactory(problem_type="vae") - register_problem( - gfp_problem_factory_vae, - conda_environment_name="poli__protein_cbas", - ) - gfp_problem_factory_vae.create(seed=12, problem_type="vae") - gfp_problem_factory_elbo = GFPCBasProblemFactory(problem_type="elbo") - register_problem( - gfp_problem_factory_elbo, - conda_environment_name="poli__protein_cbas", - ) - gfp_problem_factory_elbo.create(seed=12, problem_type="elbo") diff --git a/src/poli/objective_repository/gfp_select/register.py b/src/poli/objective_repository/gfp_select/register.py index 8d416289..7c77de37 100644 --- a/src/poli/objective_repository/gfp_select/register.py +++ b/src/poli/objective_repository/gfp_select/register.py @@ -1,5 +1,3 @@ -from typing import Tuple - import numpy as np from poli.core.abstract_black_box import AbstractBlackBox @@ -91,13 +89,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - gfp_problem_factory = GFPSelectionProblemFactory() - register_problem( - gfp_problem_factory, - conda_environment_name="poli__protein_cbas", - ) diff --git a/src/poli/objective_repository/gsk3_beta/register.py b/src/poli/objective_repository/gsk3_beta/register.py index 3c9260e6..373c286f 100644 --- a/src/poli/objective_repository/gsk3_beta/register.py +++ b/src/poli/objective_repository/gsk3_beta/register.py @@ -226,14 +226,3 @@ def create( ) return gsk3_beta_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - GSK3BetaProblemFactory(), - name="gs3_beta", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/isomer_c7h8n2o2/register.py b/src/poli/objective_repository/isomer_c7h8n2o2/register.py index 87a187ec..bbc26469 100644 --- a/src/poli/objective_repository/isomer_c7h8n2o2/register.py +++ b/src/poli/objective_repository/isomer_c7h8n2o2/register.py @@ -206,14 +206,3 @@ def create( ) return isomer_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - IsomerC7H8N2O2ProblemFactory(), - name="isomer_c7h8n2o2", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/isomer_c9h10n2o2pf2cl/register.py b/src/poli/objective_repository/isomer_c9h10n2o2pf2cl/register.py index de754851..a23c1974 100644 --- a/src/poli/objective_repository/isomer_c9h10n2o2pf2cl/register.py +++ b/src/poli/objective_repository/isomer_c9h10n2o2pf2cl/register.py @@ -211,14 +211,3 @@ def create( ) return isomer_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - IsomerC9H10N2O2PF2ClProblemFactory(), - name="isomer_c9h10n2o2pf2cl", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/jnk3/register.py b/src/poli/objective_repository/jnk3/register.py index eef6317a..4f815dec 100644 --- a/src/poli/objective_repository/jnk3/register.py +++ b/src/poli/objective_repository/jnk3/register.py @@ -222,14 +222,3 @@ def create( ) return jnk3_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - JNK3ProblemFactory(), - name="jnk3", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/median_1/register.py b/src/poli/objective_repository/median_1/register.py index 9bdca95f..89c9b606 100644 --- a/src/poli/objective_repository/median_1/register.py +++ b/src/poli/objective_repository/median_1/register.py @@ -205,14 +205,3 @@ def create( ) return median_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - Median1ProblemFactory(), - name="median_1", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/median_2/register.py b/src/poli/objective_repository/median_2/register.py index 2e33d5a3..0ae9a932 100644 --- a/src/poli/objective_repository/median_2/register.py +++ b/src/poli/objective_repository/median_2/register.py @@ -204,14 +204,3 @@ def create( ) return median_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - Median2ProblemFactory(), - name="median_2", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/mestranol_similarity/register.py b/src/poli/objective_repository/mestranol_similarity/register.py index 48212d0e..e421cf37 100644 --- a/src/poli/objective_repository/mestranol_similarity/register.py +++ b/src/poli/objective_repository/mestranol_similarity/register.py @@ -211,14 +211,3 @@ def create( ) return mestranol_similarity_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - MestranolSimilarityProblemFactory(), - name="mestranol_similarity", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/osimetrinib_mpo/register.py b/src/poli/objective_repository/osimetrinib_mpo/register.py index 35dda2e2..1365779f 100644 --- a/src/poli/objective_repository/osimetrinib_mpo/register.py +++ b/src/poli/objective_repository/osimetrinib_mpo/register.py @@ -205,14 +205,3 @@ def create( ) return osimetrinib_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - OsimetrinibMPOProblemFactory(), - name="osimetrinib_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/penalized_logp_lambo/register.py b/src/poli/objective_repository/penalized_logp_lambo/register.py index 9505cfb0..d5dd5fa4 100644 --- a/src/poli/objective_repository/penalized_logp_lambo/register.py +++ b/src/poli/objective_repository/penalized_logp_lambo/register.py @@ -140,12 +140,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - PenalizedLogPLamboProblemFactory(), - conda_environment_name="poli__lambo", - ) diff --git a/src/poli/objective_repository/perindopril_mpo/register.py b/src/poli/objective_repository/perindopril_mpo/register.py index db61fe85..71882dd7 100644 --- a/src/poli/objective_repository/perindopril_mpo/register.py +++ b/src/poli/objective_repository/perindopril_mpo/register.py @@ -204,14 +204,3 @@ def create( ) return perindopril_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - PerindoprilMPOProblemFactory(), - name="perindopril_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/ranolazine_mpo/register.py b/src/poli/objective_repository/ranolazine_mpo/register.py index 9144861b..6dec57e0 100644 --- a/src/poli/objective_repository/ranolazine_mpo/register.py +++ b/src/poli/objective_repository/ranolazine_mpo/register.py @@ -205,14 +205,3 @@ def create( ) return ranolazine_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - RanolazineMPOProblemFactory(), - name="ranolazine_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/rasp/register.py b/src/poli/objective_repository/rasp/register.py index fa918f61..3acf212a 100644 --- a/src/poli/objective_repository/rasp/register.py +++ b/src/poli/objective_repository/rasp/register.py @@ -20,8 +20,6 @@ from pathlib import Path from typing import List, Union -import numpy as np - from poli.core.abstract_black_box import AbstractBlackBox from poli.core.abstract_problem_factory import AbstractProblemFactory from poli.core.black_box_information import BlackBoxInformation @@ -289,14 +287,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - rasp_problem_factory = RaspProblemFactory() - register_problem( - rasp_problem_factory, - conda_environment_name="poli__rasp", - force=True, - ) diff --git a/src/poli/objective_repository/rdkit_logp/register.py b/src/poli/objective_repository/rdkit_logp/register.py index d26053fb..223f72dc 100644 --- a/src/poli/objective_repository/rdkit_logp/register.py +++ b/src/poli/objective_repository/rdkit_logp/register.py @@ -9,7 +9,7 @@ strings. """ -from typing import Literal, Tuple +from typing import Literal import numpy as np from rdkit.Chem import Descriptors @@ -217,18 +217,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - # Once we have created a simple conda enviroment - # (see the environment.yml file in this folder), - # we can register our problem s.t. it uses - # said conda environment. - logp_problem_factory = LogPProblemFactory() - register_problem( - logp_problem_factory, - conda_environment_name="poli__chem", - # force=True, - ) diff --git a/src/poli/objective_repository/rdkit_qed/register.py b/src/poli/objective_repository/rdkit_qed/register.py index a4c4a183..a103efff 100644 --- a/src/poli/objective_repository/rdkit_qed/register.py +++ b/src/poli/objective_repository/rdkit_qed/register.py @@ -10,7 +10,7 @@ 0 and 1. We allow for both SMILES and SELFIES strings. """ -from typing import List, Literal, Tuple +from typing import Literal import numpy as np from rdkit.Chem.QED import qed @@ -19,7 +19,6 @@ from poli.core.abstract_problem_factory import AbstractProblemFactory from poli.core.black_box_information import BlackBoxInformation from poli.core.problem import Problem -from poli.core.problem_setup_information import ProblemSetupInformation from poli.core.util.chemistry.string_to_molecule import strings_to_molecules from poli.core.util.seeding import seed_python_numpy_and_torch from poli.objective_repository.rdkit_qed.information import rdkit_qed_info @@ -246,18 +245,3 @@ def create( x0 = np.array([["[C]"]]) return Problem(f, x0) - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - # Once we have created a simple conda enviroment - # (see the environment.yml file in this folder), - # we can register our problem s.t. it uses - # said conda environment. - qed_problem_factory = QEDProblemFactory() - register_problem( - qed_problem_factory, - conda_environment_name="poli__chem", - # force=True, - ) diff --git a/src/poli/objective_repository/rfp_foldx_stability_and_sasa/register.py b/src/poli/objective_repository/rfp_foldx_stability_and_sasa/register.py index 9b1ff5a9..4044152c 100644 --- a/src/poli/objective_repository/rfp_foldx_stability_and_sasa/register.py +++ b/src/poli/objective_repository/rfp_foldx_stability_and_sasa/register.py @@ -230,13 +230,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - rfp_foldx_problem_factory = RFPFoldXStabilityAndSASAProblemFactory() - register_problem( - rfp_foldx_problem_factory, - conda_environment_name="poli__protein", - ) diff --git a/src/poli/objective_repository/rmf_landscape/register.py b/src/poli/objective_repository/rmf_landscape/register.py index 8c5c6e34..297ac1e7 100644 --- a/src/poli/objective_repository/rmf_landscape/register.py +++ b/src/poli/objective_repository/rmf_landscape/register.py @@ -4,14 +4,14 @@ References ---------- [1] Adaptation in Tunably Rugged Fitness Landscapes: The Rough Mount Fuji Model. - Neidhart J., Szendro I.G., and Krug, J. Genetics 198, 699-721 (2014). https://doi.org/10.1534/genetics.114.167668 + Neidhart J., Szendro I.G., and Krug, J. Genetics 198, 699-721 (2014). https://doi.org/10.1534/genetics.114.167668 [2] Analysis of a local fitness landscape with a model of the rough Mt. Fuji-type landscape: Application to prolyl endopeptidase and thermolysin. - Aita T., Uchiyama H., et al. Biopolymers 54, 64-79 (2000). https://doi.org/10.1002/(SICI)1097-0282(200007)54:1<64::AID-BIP70>3.0.CO;2-R + Aita T., Uchiyama H., et al. Biopolymers 54, 64-79 (2000). https://doi.org/10.1002/(SICI)1097-0282(200007)54:1<64::AID-BIP70>3.0.CO;2-R """ from __future__ import annotations -from typing import List, Optional, Union +from typing import List import numpy as np @@ -245,13 +245,3 @@ def create( x0 = np.array(wildtype).reshape(1, len(wildtype)) problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - rmf_problem_factory = RMFProblemFactory() - register_problem( - rmf_problem_factory, - conda_environment_name="poli__rmf", - ) diff --git a/src/poli/objective_repository/sa_tdc/register.py b/src/poli/objective_repository/sa_tdc/register.py index 2891c4e2..52a7715a 100644 --- a/src/poli/objective_repository/sa_tdc/register.py +++ b/src/poli/objective_repository/sa_tdc/register.py @@ -17,7 +17,6 @@ from poli.core.chemistry.tdc_black_box import TDCBlackBox from poli.core.problem import Problem from poli.core.util.chemistry.string_to_molecule import translate_smiles_to_selfies -from poli.core.util.isolation.instancing import instance_function_as_isolated_process from poli.core.util.seeding import seed_python_numpy_and_torch from poli.objective_repository.sa_tdc.information import sa_tdc_info @@ -176,13 +175,3 @@ def create( x0=x0, ) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - SAProblemFactory(), - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/scaffold_hop/register.py b/src/poli/objective_repository/scaffold_hop/register.py index e2e25f34..bca24aa1 100644 --- a/src/poli/objective_repository/scaffold_hop/register.py +++ b/src/poli/objective_repository/scaffold_hop/register.py @@ -205,14 +205,3 @@ def create( ) return scaffold_hop_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - ScaffoldHopProblemFactory(), - name="scaffold_hop", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/sitagliptin_mpo/register.py b/src/poli/objective_repository/sitagliptin_mpo/register.py index a4eda1bc..bf688ae1 100644 --- a/src/poli/objective_repository/sitagliptin_mpo/register.py +++ b/src/poli/objective_repository/sitagliptin_mpo/register.py @@ -204,14 +204,3 @@ def create( ) return sitagliptin_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - SitagliptinMPOProblemFactory(), - name="sitagliptin_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/super_mario_bros/register.py b/src/poli/objective_repository/super_mario_bros/register.py index 0d7cec22..f7e1a060 100644 --- a/src/poli/objective_repository/super_mario_bros/register.py +++ b/src/poli/objective_repository/super_mario_bros/register.py @@ -8,7 +8,6 @@ """ from pathlib import Path -from typing import Tuple import numpy as np @@ -198,14 +197,3 @@ def create( problem = Problem(f, x0) return problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - # (once) we have to register our factory - smb_problem_factory = SuperMarioBrosProblemFactory() - register_problem( - smb_problem_factory, - conda_environment_name="poli__mario", - ) diff --git a/src/poli/objective_repository/thiothixene_rediscovery/register.py b/src/poli/objective_repository/thiothixene_rediscovery/register.py index b820d4e3..0f89bdaf 100644 --- a/src/poli/objective_repository/thiothixene_rediscovery/register.py +++ b/src/poli/objective_repository/thiothixene_rediscovery/register.py @@ -208,14 +208,3 @@ def create( ) return thiothixene_rediscovery_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - ThiothixeneRediscoveryProblemFactory(), - name="thiothixene_rediscovery", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/toy_continuous_problem/register.py b/src/poli/objective_repository/toy_continuous_problem/register.py index e021519c..cc61fb9a 100644 --- a/src/poli/objective_repository/toy_continuous_problem/register.py +++ b/src/poli/objective_repository/toy_continuous_problem/register.py @@ -25,12 +25,7 @@ toy_continuous_info, ) -from .toy_continuous_problem import ( - POSSIBLE_FUNCTIONS, - SIX_DIMENSIONAL_PROBLEMS, - TWO_DIMENSIONAL_PROBLEMS, - ToyContinuousProblem, -) +from .toy_continuous_problem import POSSIBLE_FUNCTIONS, ToyContinuousProblem class ToyContinuousBlackBox(AbstractBlackBox): @@ -222,18 +217,3 @@ def create( x0 = f.function.x0 return Problem(f, x0) - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - # Once we have created a simple conda enviroment - # (see the environment.yml file in this folder), - # we can register our problem s.t. it uses - # said conda environment. - toy_continuous_problem_factory = ToyContinuousProblemFactory() - register_problem( - toy_continuous_problem_factory, - conda_environment_name="poli__base", - # force=True - ) diff --git a/src/poli/objective_repository/troglitazone_rediscovery/register.py b/src/poli/objective_repository/troglitazone_rediscovery/register.py index e44519ca..b8180e06 100644 --- a/src/poli/objective_repository/troglitazone_rediscovery/register.py +++ b/src/poli/objective_repository/troglitazone_rediscovery/register.py @@ -208,14 +208,3 @@ def create( ) return troglitazone_rediscovery_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - TroglitazoneRediscoveryProblemFactory(), - name="troglitazone_rediscovery", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/valsartan_smarts/register.py b/src/poli/objective_repository/valsartan_smarts/register.py index 01bd49cb..cfe93171 100644 --- a/src/poli/objective_repository/valsartan_smarts/register.py +++ b/src/poli/objective_repository/valsartan_smarts/register.py @@ -205,14 +205,3 @@ def create( ) return valsartan_smarts_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - ValsartanSMARTSProblemFactory(), - name="valsartan_smarts", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/objective_repository/white_noise/register.py b/src/poli/objective_repository/white_noise/register.py index 612d7eeb..75d6d9ea 100644 --- a/src/poli/objective_repository/white_noise/register.py +++ b/src/poli/objective_repository/white_noise/register.py @@ -15,7 +15,6 @@ from poli.core.abstract_problem_factory import AbstractProblemFactory from poli.core.black_box_information import BlackBoxInformation from poli.core.problem import Problem -from poli.core.problem_setup_information import ProblemSetupInformation from poli.core.util.seeding import seed_python_numpy_and_torch @@ -173,18 +172,3 @@ def create( white_noise_problem = Problem(black_box=f, x0=x0) return white_noise_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - # Once we have created a simple conda enviroment - # (see the environment.yml file in this folder), - # we can register our problem s.t. it uses - # said conda environment. - white_noise_problem_factory = WhiteNoiseProblemFactory() - register_problem( - white_noise_problem_factory, - conda_environment_name="poli__base", - force=True, - ) diff --git a/src/poli/objective_repository/zaleplon_mpo/register.py b/src/poli/objective_repository/zaleplon_mpo/register.py index d51526e3..4e3f66c7 100644 --- a/src/poli/objective_repository/zaleplon_mpo/register.py +++ b/src/poli/objective_repository/zaleplon_mpo/register.py @@ -205,14 +205,3 @@ def create( ) return zaleplon_mpo_problem - - -if __name__ == "__main__": - from poli.core.registry import register_problem - - register_problem( - ZaleplonMPOProblemFactory(), - name="zaleplon_mpo", - conda_environment_name="poli__tdc", - force=True, - ) diff --git a/src/poli/registered_objectives/__init__.py b/src/poli/registered_objectives/__init__.py deleted file mode 100644 index 8b137891..00000000 --- a/src/poli/registered_objectives/__init__.py +++ /dev/null @@ -1 +0,0 @@ -