From 8f8e1b01fd92dce1e934cfc648cb768c80ef06c2 Mon Sep 17 00:00:00 2001 From: sfluegel Date: Wed, 7 Aug 2024 17:28:31 +0200 Subject: [PATCH 1/4] set python==3.11, lightning==2.1, numpy<2 --- setup.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/setup.py b/setup.py index 6518d892..c0a9fb51 100644 --- a/setup.py +++ b/setup.py @@ -14,13 +14,13 @@ author_email="martin.glauer@ovgu.de", description="", zip_safe=False, - python_requires="<=3.11.8", + python_requires="==3.11", install_requires=[ "certifi", "idna", "joblib", "networkx", - "numpy", + "numpy<2", "pandas", "python-dateutil", "pytz", @@ -40,7 +40,7 @@ "matplotlib", "rdkit", "selfies", - "lightning", + "lightning==2.1", "jsonargparse[signatures]>=4.17.0", "omegaconf", "seaborn", From 98042e5abbe8f73457b14698a7a0fe717297499a Mon Sep 17 00:00:00 2001 From: sfluegel Date: Wed, 7 Aug 2024 17:29:05 +0200 Subject: [PATCH 2/4] change checkpoint parameters to default for early_stop_callbacks.yml --- configs/training/early_stop_callbacks.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/configs/training/early_stop_callbacks.yml b/configs/training/early_stop_callbacks.yml index 75c4597d..91130905 100644 --- a/configs/training/early_stop_callbacks.yml +++ b/configs/training/early_stop_callbacks.yml @@ -4,11 +4,11 @@ mode: 'max' filename: 'best_{epoch:02d}_{val_loss:.4f}_{val_macro-f1:.4f}_{val_micro-f1:.4f}' every_n_epochs: 1 - save_top_k: 5 + save_top_k: 3 - class_path: chebai.callbacks.model_checkpoint.CustomModelCheckpoint init_args: filename: 'per_{epoch:02d}_{val_loss:.4f}_{val_macro-f1:.4f}_{val_micro-f1:.4f}' - every_n_epochs: 5 + every_n_epochs: 25 save_top_k: -1 - class_path: lightning.pytorch.callbacks.early_stopping.EarlyStopping init_args: From 41b6c87ca0e0f1678c8b796fba6d27bba3668700 Mon Sep 17 00:00:00 2001 From: sfluegel Date: Wed, 7 Aug 2024 17:42:28 +0200 Subject: [PATCH 3/4] fix python version specification --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index c0a9fb51..a47fe945 100644 --- a/setup.py +++ b/setup.py @@ -14,7 +14,7 @@ author_email="martin.glauer@ovgu.de", description="", zip_safe=False, - python_requires="==3.11", + python_requires=">=3.9, <3.12", install_requires=[ "certifi", "idna", From 56832cb1f686333f555b76e515c60eabab45f2ce Mon Sep 17 00:00:00 2001 From: sfluegel Date: Thu, 8 Aug 2024 13:13:31 +0200 Subject: [PATCH 4/4] only require major versions --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index a47fe945..0007f6ee 100644 --- a/setup.py +++ b/setup.py @@ -40,8 +40,8 @@ "matplotlib", "rdkit", "selfies", - "lightning==2.1", - "jsonargparse[signatures]>=4.17.0", + "lightning<=2.1", + "jsonargparse[signatures]>=4.17", "omegaconf", "seaborn", "deepsmiles",