hjxdl 0.0.19__py3-none-any.whl → 0.1.1__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- hdl/_version.py +2 -2
- hdl/controllers/train/rxn_train.py +2 -2
- hdl/controllers/train/train_ginet.py +1 -1
- hdl/controllers/train/trainer_base.py +1 -1
- hdl/controllers/train/trainer_iterative.py +3 -3
- hdl/data/dataset/base_dataset.py +2 -2
- hdl/data/dataset/graph/molnet.py +1 -1
- {hjxdl-0.0.19.dist-info → hjxdl-0.1.1.dist-info}/METADATA +1 -1
- {hjxdl-0.0.19.dist-info → hjxdl-0.1.1.dist-info}/RECORD +11 -11
- {hjxdl-0.0.19.dist-info → hjxdl-0.1.1.dist-info}/WHEEL +1 -1
- {hjxdl-0.0.19.dist-info → hjxdl-0.1.1.dist-info}/top_level.txt +0 -0
hdl/_version.py
CHANGED
@@ -9,8 +9,8 @@ from hdl.models.utils import load_model, save_model
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from hdl.data.dataset.seq.rxn_dataset import RXNCSVDataset
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from hdl.data.dataset.loaders.rxn_loader import RXNLoader
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from hdl.metric_loss.loss import mtmc_loss
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from jupyfuncs.pbar import tnrange, tqdm
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from jupyfuncs.glob import makedirs
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from jupyfuncs.show.pbar import tnrange, tqdm
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from jupyfuncs.path.glob import makedirs
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# from hdl.optims.nadam import Nadam
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from torch.optim import Adam
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# from .trainer_base import TorchTrainer
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@@ -10,7 +10,7 @@ import pandas as pd
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# from jupyfuncs.glob import makedirs
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from jupyfuncs.pbar import tnrange, tqdm
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from jupyfuncs.show.pbar import tnrange, tqdm
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# from hdl.data.dataset.graph.gin import MoleculeDataset
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from hdl.data.dataset.graph.gin import MoleculeDatasetWrapper
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# from hdl.metric_loss.loss import get_lossfunc
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@@ -4,7 +4,7 @@ from os import path as osp
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import torch
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from torch.utils.tensorboard import SummaryWriter
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from jupyfuncs.glob import makedirs
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from jupyfuncs.path.glob import makedirs
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from hdl.models.optim_dict import OPTIM_DICT
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from hdl.models.model_dict import MODEL_DICT
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@@ -15,9 +15,9 @@ from hdl.models.optim_dict import OPTIM_DICT
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from hdl.features.fp.features_generators import FP_BITS_DICT
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from hdl.data.dataset.fp.fp_dataset import FPDataset
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from hdl.data.dataset.loaders.general import Loader
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from jupyfuncs.pbar import tnrange, tqdm
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from jupyfuncs.glob import makedirs
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from jupyfuncs.tensor import get_valid_indices
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from jupyfuncs.show.pbar import tnrange, tqdm
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from jupyfuncs.path.glob import makedirs
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from jupyfuncs.dl.tensor import get_valid_indices
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from hdl.metric_loss.loss import mtmc_loss
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from hdl.controllers.train.trainer_base import IterativeTrainer
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hdl/data/dataset/base_dataset.py
CHANGED
@@ -4,8 +4,8 @@ import typing as t
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import torch.utils.data as tud
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import pandas as pd
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from jupyfuncs.dataframe import rm_index
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from jupyfuncs.tensor import (
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from jupyfuncs.dl.dataframe import rm_index
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from jupyfuncs.dl.tensor import (
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label_to_onehot,
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label_to_tensor
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)
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hdl/data/dataset/graph/molnet.py
CHANGED
@@ -1,5 +1,5 @@
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hdl/__init__.py,sha256=5sZZNySv08wwfzJcSDssGTqUn9wlmDsR6R4XB8J8mFM,70
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hdl/_version.py,sha256=
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hdl/_version.py,sha256=PKIMyjdUACH4-ONvtunQCnYE2UhlMfp9su83e3HXl5E,411
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hdl/args/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/args/loss_args.py,sha256=s7YzSdd7IjD24rZvvOrxLLFqMZQb9YylxKeyelSdrTk,70
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hdl/controllers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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@@ -11,22 +11,22 @@ hdl/controllers/explain/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG
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hdl/controllers/explain/shapley.py,sha256=6dPc_ICPgvllT8YtFxe9Ds-TVccsXr2M0lP4zKxGHQA,12436
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hdl/controllers/explain/subgraphx.py,sha256=2lxdmKlveyxWpYf2AdTvjm_C578WH-_z1fqhiHOzYXQ,38202
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hdl/controllers/train/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/controllers/train/rxn_train.py,sha256=
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hdl/controllers/train/rxn_train.py,sha256=9RAqvbAWQoitO0SVmAAVpbNbY6k1Q3pGnT4UgrqI7Q4,4886
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hdl/controllers/train/train.py,sha256=K7UjerhMFks9gQINQtUNXfGBN-XejmJZs0Mqzd7k5rU,1637
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hdl/controllers/train/train_ginet.py,sha256=
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hdl/controllers/train/trainer_base.py,sha256=
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hdl/controllers/train/trainer_iterative.py,sha256=
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hdl/controllers/train/train_ginet.py,sha256=A1mnT3Htyyl9UjDoWL5JSKOSAF2OMthJqeqRoc2htwE,8566
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hdl/controllers/train/trainer_base.py,sha256=SS_JXGnxF31zJDqR3lxIePVKs8ZVjmbGeEc4CSB804M,4017
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hdl/controllers/train/trainer_iterative.py,sha256=McXsYSEuiz75YcXU_3w6-W7UszKOrmNWFuOqJdXFjXQ,11816
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hdl/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/to_mols.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/dataset/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/dataset/base_dataset.py,sha256=
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hdl/data/dataset/base_dataset.py,sha256=z5Hyq2V8vjdVKa4RR7Umv7QzNhDJhpZ4sczGZ0ys2Zw,2670
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hdl/data/dataset/utils.py,sha256=tAh-a05Ireu6TiY89HHZ3WcLOz_Th8Cz0-lwlslklAM,1071
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hdl/data/dataset/fp/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/dataset/fp/fp_dataset.py,sha256=ei7M7xRL81hzX4r7ybxupkGE0Oj2dTXxCTgDYEWgtVQ,4033
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hdl/data/dataset/graph/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/dataset/graph/chiral.py,sha256=Tyz9-iBWoKESrYcnK6K0rif3A1SFcNMm9hbLfCmCVUA,1985
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hdl/data/dataset/graph/gin.py,sha256=To-wvp-u-VXK6w3W3CohqcSCEfMZ7grqZQzr9KiEZQM,8848
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hdl/data/dataset/graph/molnet.py,sha256=
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hdl/data/dataset/graph/molnet.py,sha256=G-3nzaSuqiZntD7ockznC4GMqJ4hfzfB2UEZOw35IJQ,12811
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hdl/data/dataset/loaders/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/dataset/loaders/chiral_graph.py,sha256=efPpN5ovUqUhIPcPnL0zADD-zxaG8HRGD4KPwA_vbS8,2239
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hdl/data/dataset/loaders/general.py,sha256=eObFlDsIfoiqJkeZHpJ4-cFuFCUfDbc2tfZe1z8qm70,532
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@@ -88,7 +88,7 @@ hdl/utils/llm/chat.py,sha256=H2c8assJlSdZQKIfPkYrVZHqv66TsdsxtaLXv0kNe1w,11565
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hdl/utils/llm/embs.py,sha256=sC8tga7HgDwPI2m7TDWKp9kkxEIMxEyMtgmEhfRi4vI,6362
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hdl/utils/schedulers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/utils/schedulers/norm_lr.py,sha256=bDwCmdEK-WkgxQMFBiMuchv8Mm7C0-GZJ6usm-PQk14,4461
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hjxdl-0.
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hjxdl-0.
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hjxdl-0.
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hjxdl-0.
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hjxdl-0.1.1.dist-info/METADATA,sha256=ORYQSX57x_WZQ1pG6KIjvesKNPshg1vCKv_8kw0hyas,542
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hjxdl-0.1.1.dist-info/WHEEL,sha256=pd56usn78UTvq1xeX_ZwFhoK6jE5u5wzu4TTBIG5cQ0,91
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hjxdl-0.1.1.dist-info/top_level.txt,sha256=-kxwTM5JPhylp06z3zAVO3w6_h7wtBfBo2zgM6YZoTk,4
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hjxdl-0.1.1.dist-info/RECORD,,
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File without changes
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