hjxdl 0.1.12__py3-none-any.whl → 0.1.14__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/datasets/city_code.json +2576 -0
- hdl/datasets/defined_BaseFeatures.fdef +236 -0
- hdl/datasets/las.tsv +0 -0
- hdl/datasets/route_template.json +113 -0
- hdl/datasets/vocab.txt +591 -0
- hdl/ju/__init__.py +0 -0
- hdl/ju/setup.py +55 -0
- hdl/jupyfuncs/__init__.py +0 -0
- hdl/jupyfuncs/chem/__init__.py +0 -0
- hdl/jupyfuncs/chem/mol.py +548 -0
- hdl/jupyfuncs/chem/norm.py +268 -0
- hdl/jupyfuncs/chem/pdb_ext.py +94 -0
- hdl/jupyfuncs/chem/scaffold.py +25 -0
- hdl/jupyfuncs/chem/shape.py +241 -0
- hdl/jupyfuncs/chem/tokenizers.py +2 -0
- hdl/jupyfuncs/dbtools/__init__.py +0 -0
- hdl/jupyfuncs/dbtools/pg.py +42 -0
- hdl/jupyfuncs/dbtools/query_info.py +150 -0
- hdl/jupyfuncs/dl/__init__.py +0 -0
- hdl/jupyfuncs/dl/cp.py +54 -0
- hdl/jupyfuncs/dl/dataframe.py +38 -0
- hdl/jupyfuncs/dl/fp.py +49 -0
- hdl/jupyfuncs/dl/list.py +20 -0
- hdl/jupyfuncs/dl/model_utils.py +97 -0
- hdl/jupyfuncs/dl/tensor.py +159 -0
- hdl/jupyfuncs/dl/uncs.py +112 -0
- hdl/jupyfuncs/llm/__init__.py +0 -0
- hdl/jupyfuncs/llm/extract.py +123 -0
- hdl/jupyfuncs/llm/openapi.py +94 -0
- hdl/jupyfuncs/network/__init__.py +0 -0
- hdl/jupyfuncs/network/proxy.py +20 -0
- hdl/jupyfuncs/path/__init__.py +0 -0
- hdl/jupyfuncs/path/glob.py +285 -0
- hdl/jupyfuncs/path/strings.py +65 -0
- hdl/jupyfuncs/show/__init__.py +0 -0
- hdl/jupyfuncs/show/pbar.py +50 -0
- hdl/jupyfuncs/show/plot.py +259 -0
- hdl/jupyfuncs/utils/__init__.py +0 -0
- hdl/jupyfuncs/utils/wrappers.py +8 -0
- hdl/utils/llm/chat.py +4 -0
- {hjxdl-0.1.12.dist-info → hjxdl-0.1.14.dist-info}/METADATA +1 -1
- {hjxdl-0.1.12.dist-info → hjxdl-0.1.14.dist-info}/RECORD +45 -6
- {hjxdl-0.1.12.dist-info → hjxdl-0.1.14.dist-info}/WHEEL +1 -1
- {hjxdl-0.1.12.dist-info → hjxdl-0.1.14.dist-info}/top_level.txt +0 -0
@@ -0,0 +1,259 @@
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from os import path as osp
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import typing as t
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from typing_extensions import Literal
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import seaborn as sn
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import sklearn
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import matplotlib.pyplot as plt
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import matplotlib
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import numpy as np
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import pandas as pd
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from ..path.glob import get_num_lines
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from ..path.strings import splitted_strs_from_line
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cm = matplotlib.cm.get_cmap('tab20')
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colors = cm.colors
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LABEL = Literal[
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'training_size',
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'episode_id',
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]
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def accuracies_heat(y_true, y_pred, num_tasks):
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assert len(y_true) == len(y_pred)
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cm = sklearn.metrics.confusion_matrix(
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y_true, y_pred, normalize='true'
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)
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df_cm = pd.DataFrame(
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cm, range(num_tasks), range(num_tasks)
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)
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plt.figure(figsize=(10, 10))
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sn.set(font_scale=1.4)
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sn.heatmap(df_cm, annot=True, annot_kws={"size": 16}, fmt='.2f')
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def get_metrics_curves(
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base_dir,
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ckpts,
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num_points,
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title="Metric Curve",
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metric='accuracy',
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log_file='metrics.log',
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label: LABEL = 'training_size',
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save_dir: str = None,
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figsize=(10, 6)
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):
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if not save_dir:
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save_dir = osp.join(base_dir, 'metrics_curves.png')
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data_dict = {}
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for ckpt in ckpts:
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log = osp.join(
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base_dir,
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ckpt,
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log_file
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)
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if not osp.exists(log):
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print(f"WARNING: no log file for {ckpt}")
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continue
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data_dict[ckpt] = []
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data_idx = 0
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for line_id in range(get_num_lines(log)):
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line = splitted_strs_from_line(log, line_id)
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if len(line) == 3 and line[1].strip() == metric:
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if label == 'episode_id':
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x = data_idx
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elif label == 'training_size':
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x = int(line[0].strip())
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data_dict[ckpt].append(
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[
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x,
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float(line[2].strip())
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]
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)
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data_idx += 1
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if line_id >= num_points - 1:
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break
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plt.figure(figsize=figsize, dpi=100)
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# plt.style.use('ggplot')
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plt.title(title)
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for i, (ckpt, points) in enumerate(data_dict.items()):
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points_array = np.array(points).T
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plt.plot(points_array[0], points_array[1], label=ckpt, color=colors[i])
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lg = plt.legend(bbox_to_anchor=(1.2, 1.0), loc='upper right')
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# plt.legend(loc='lower right')
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plt.xlabel(
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label
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)
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plt.ylabel(metric)
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plt.grid(True)
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plt.savefig(
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save_dir,
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format='png',
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bbox_extra_artists=(lg,),
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bbox_inches='tight'
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)
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plt.show()
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def get_means_vars(
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log_file: str,
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indices: t.List,
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mode: str,
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nears_each: int,
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) -> t.List[t.List[int]]:
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mean_s, var_s = [], []
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num_points = len(indices)
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nears_lists = []
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if mode == 'id':
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for index in indices:
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nears = []
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nears.extend(list(range(
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index - nears_each, index + 1 + nears_each
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)))
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nears_lists.append(nears)
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for nears in nears_lists:
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mean_s.append(np.mean([
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float(splitted_strs_from_line(log_file, line_id)[2])
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for line_id in nears
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]))
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var_s.append((np.std([
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float(splitted_strs_from_line(log_file, line_id)[2])
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for line_id in nears
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])))
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elif mode == 'value':
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datas = [
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splitted_strs_from_line(log_file, line_id)
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for line_id in range(get_num_lines(log_file))
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]
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training_sizes = [[int(data[0]) for data in datas]]
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values = np.array([float(data[2]) for data in datas])
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training_sizes = np.repeat(training_sizes, num_points, 0).T
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diffs = training_sizes - indices
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true_indices = np.argmin(np.abs(diffs), 0)
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true_indices_list = [
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list(range(
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index - nears_each, index + 1 + nears_each
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))
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for index in true_indices
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]
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mean_s = [
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np.mean(values[indices])
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for indices in true_indices_list
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]
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var_s = [
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np.std(values[indices])
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for indices in true_indices_list
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]
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var_s = np.array(var_s) / np.sqrt(num_points)
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return mean_s, var_s
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def get_metrics_bars(
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base_dir,
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ckpts,
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title="Metric Bars",
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training_sizes: t.List = [],
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episide_ids: t.List = [],
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nears_each: int = 5,
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pretrained_num: int = 0,
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x_diff: bool = False,
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metric='accuracy',
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log_file='metrics.log',
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label: LABEL = 'training_size',
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save_dir: str = None,
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figsize=(10, 6),
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bar_ratio=0.8,
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minimum=0.0,
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maximum=1.0
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):
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if not save_dir:
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save_dir = osp.join(base_dir, 'metrics_bars.png')
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x_labels, num_points = [], 0
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if label == 'training_size':
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num_points = len(training_sizes)
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x_labels = training_sizes
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mode = 'value'
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elif label == 'episode_id':
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num_points = len(episide_ids)
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x_labels = episide_ids
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mode = 'id'
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x = np.arange(num_points)
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num_strategies = len(ckpts)
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total_width = bar_ratio
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width = total_width / num_strategies
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x = x - (total_width - width) / 2
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if not save_dir:
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save_dir = osp.join(base_dir, 'metrics.png')
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data_dict = {}
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for ckpt in ckpts:
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log = osp.join(
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base_dir,
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ckpt,
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log_file
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)
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if not osp.exists(log):
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print(f"WARNING: no log file for {ckpt}")
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continue
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# print(x_labels)
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mean_s, var_s = get_means_vars(
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log_file=log,
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indices=x_labels,
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mode=mode,
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nears_each=nears_each
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)
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data_dict[ckpt] = (mean_s, var_s)
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if x_diff:
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x_labels = np.array(x_labels, dtype=np.int) - pretrained_num
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plt.figure(figsize=figsize, dpi=100)
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plt.title(title)
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ax = plt.gca()
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ax.set_ylim([minimum, maximum])
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for point_idx, (ckpt, datas) in enumerate(data_dict.items()):
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mean_s, var_s = datas
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plt.bar(
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x + width * point_idx,
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mean_s,
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width=width,
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yerr=var_s,
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tick_label=x_labels,
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label=ckpt,
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color=colors[point_idx]
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)
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lg = plt.legend(bbox_to_anchor=(1.2, 1.0), loc='upper right')
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# plt.legend(loc='lower right')
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plt.xlabel(
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label
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)
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plt.ylabel(metric)
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plt.grid(True)
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plt.savefig(
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save_dir,
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format='png',
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bbox_extra_artists=(lg,),
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bbox_inches='tight'
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)
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plt.show()
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File without changes
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hdl/utils/llm/chat.py
CHANGED
@@ -364,6 +364,7 @@ class OpenAI_M():
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prompt : str,
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stop: list[str] | None = ["USER:", "ASSISTANT:"],
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# history: list = [],
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model="default_model",
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**kwargs: t.Any,
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) -> str:
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"""Invoke the chatbot with the given prompt and return the response.
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"content": prompt
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}],
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stream=False,
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model=model,
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# model=kwargs.get("model", "default_model")
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**kwargs
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)
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prompt : str,
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stop: list[str] | None = ["USER:", "ASSISTANT:"],
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# history: list = [],
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model="default_model",
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**kwargs: t.Any,
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):
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"""Generate text completion in a streaming fashion.
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"content": prompt
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}],
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stream=True,
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model=model,
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# model=kwargs.get("model", "default_model")
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**kwargs
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)
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@@ -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=1w8OANeC0K0uOMBB6XWDhN49spC7ipRwXZnxjNMUZWU,413
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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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@@ -38,6 +38,11 @@ hdl/data/dataset/samplers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJW
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hdl/data/dataset/samplers/chiral.py,sha256=ZS83kg5e2gdHVGgIuCjCepDwk2SKqWDgJawH37oXy78,463
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hdl/data/dataset/seq/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/data/dataset/seq/rxn_dataset.py,sha256=jfXFlR3ITAf0KwUfIevzUZHnLBnFYrL69Cc81EMv0x0,1668
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hdl/datasets/city_code.json,sha256=qnTL6ldpGnQanDXN3oitx12E6oiayaCHTh2Zi9RyQjM,60816
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hdl/datasets/defined_BaseFeatures.fdef,sha256=5QhCEcu6fjSTXaTcZZ8-LSgf72_aJj_ykoDk82ZwVBI,7383
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hdl/datasets/las.tsv,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/datasets/route_template.json,sha256=2qhkbtEZUrUod6PXCWXxAgQmU-jAC0yLcWGBBk2IwgE,3757
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hdl/datasets/vocab.txt,sha256=cXdB1JDs2rY6C9BupRRY7w21xK4KN9SrxPxkN9CUXXQ,3524
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hdl/features/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/features/fp/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/features/fp/features_generators.py,sha256=HbyS97i2I2mOcANdJMohs2okA1LlZmkG4ZIIX6Y9fr4,9017
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@@ -45,6 +50,40 @@ hdl/features/graph/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuF
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hdl/features/graph/featurization.py,sha256=QLbj33JsgO-OWarIC2HXQP7eMu8pd-GWmppZQj_tQ_k,10902
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hdl/features/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/features/utils/utils.py,sha256=aL4UAALblaw1w0AjK7MX8nSj9zwTmrp9CTLwJUX8ZtE,4225
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hdl/ju/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/ju/setup.py,sha256=MB3rndQYt9QC-bdyGt81HYR0Rdr0l8DbAHktIuFMYU0,1725
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hdl/jupyfuncs/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/chem/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/chem/mol.py,sha256=FDb2L61JL6xkNK7bxXWVjAT-r-st7iMyQNoFezBvTUE,15294
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hdl/jupyfuncs/chem/norm.py,sha256=NRjSP8P7f3Yhy1LmSpaV93qYgYis_qVG7HT0vOWeW1U,10186
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hdl/jupyfuncs/chem/pdb_ext.py,sha256=VgkU34Y3na5Ri0QwW2Hh-QiE4j9DgVwMB49DL3JgAcQ,2710
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hdl/jupyfuncs/chem/scaffold.py,sha256=hWhmsrtdjM_ihStFvTz7XIs27coOMDOvdGh5vAk-UsA,1025
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hdl/jupyfuncs/chem/shape.py,sha256=FQmLxEkUOaWqlYi1CPm-8Ze5w_oOrmoeAzOx4UdYRtI,5807
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hdl/jupyfuncs/chem/tokenizers.py,sha256=UtpgQdDCL3FF1gSYcMLWZZcwcJQSp2RXdG0fRYZDGmU,133
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hdl/jupyfuncs/dbtools/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/dbtools/pg.py,sha256=B4t1WAfGCmJsaQIm59M5xYdRPfGP-vrNS2SA8rMzlbM,943
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hdl/jupyfuncs/dbtools/query_info.py,sha256=CorUpyopY-FO3mRXlCIjxD09_6nXaAMJR0NHvfqjcIw,4327
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hdl/jupyfuncs/dl/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/dl/cp.py,sha256=NHBkWBQ0eP6qEUXMwsVv5bI0p24CEsqFhwSJtKmmzGo,1816
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hdl/jupyfuncs/dl/dataframe.py,sha256=Cqlkcv20QplZ4tGQdW9k-3CaoTaaqoyaWQ0mr96n3V0,1023
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hdl/jupyfuncs/dl/fp.py,sha256=VYiW6-Q8lY2fDK9DU5_r6EmAyY5-VVv680-57h_MKPA,1025
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hdl/jupyfuncs/dl/list.py,sha256=WcVoDoJU7LYAG0bp_3zcZF2pW9NfQ4LIIXvGGu32vzs,756
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hdl/jupyfuncs/dl/model_utils.py,sha256=Xnt-a5MjE5NWghIu9Yss8zQ9JYhrv_Rbo5OPNC0MX80,2934
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hdl/jupyfuncs/dl/tensor.py,sha256=vOUyi8Ymc_JKiqywLJUph5jiKPHoq2cUo73YJnf0voQ,4495
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hdl/jupyfuncs/dl/uncs.py,sha256=j4YQE4BrBmZqOk9J_C9UKxbzrvt5pLPUZCCSIdi2FBk,2780
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hdl/jupyfuncs/llm/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/llm/extract.py,sha256=UjPhrgbuU7_2u3620lcjXQPHF2l22o_AEmAaH8UXIZA,4531
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hdl/jupyfuncs/llm/openapi.py,sha256=pNBW0Jzt0JAZP8ZexgoQZVF118jrhKnBYheClcMu9bU,2687
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hdl/jupyfuncs/network/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/network/proxy.py,sha256=foZm3gGFTPLeMNRfWs4QKNUEmlhtNTr_1GQvn0IgDVw,545
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hdl/jupyfuncs/path/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/path/glob.py,sha256=fl0YDLDS9QI2WgDlBzDGlALbvkmPGcXp4UnbbQ17BOM,8300
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hdl/jupyfuncs/path/strings.py,sha256=eZCXElh7pT0xwy6ZBqSu3frq3Xx8CN5TMuQzsxb0Sbw,2009
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hdl/jupyfuncs/show/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/show/pbar.py,sha256=QzyHV9XEyk9U5oyonxLSwYb5pD09iVUw_atVlzxYBNQ,1005
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hdl/jupyfuncs/show/plot.py,sha256=kH4UwTiRtjhTJJlR4gj6-mDgQxIH9PQCHVg1_54nIR8,6717
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hdl/jupyfuncs/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/jupyfuncs/utils/wrappers.py,sha256=N8rwRFnHX9j2sR_-l-y-B2nmk39NFuu4YTntOvF3pMo,266
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hdl/layers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/layers/general/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/layers/general/gp.py,sha256=no1P6i2nCa539b0I5S6hd2mC8CeW0Ds726GM0swwlzc,525
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@@ -84,12 +123,12 @@ hdl/utils/database_tools/connect.py,sha256=KUnVG-8raifEJ_N0b3c8LkTTIfn9NIyw8LX6q
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hdl/utils/general/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/utils/general/glob.py,sha256=8-RCnt6L297wMIfn34ZAMCsGCZUjHG3MGglGZI1cX0g,491
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hdl/utils/llm/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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hdl/utils/llm/chat.py,sha256=
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hdl/utils/llm/chat.py,sha256=Xypu7KlnTeI9oep02tuw04GooAfysZEgY2T_P29xZuU,15086
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hdl/utils/llm/embs.py,sha256=Tf0FOYrOFZp7qQpEPiSCXzlgyHH0X9HVTUtsup74a9E,7174
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hdl/utils/llm/extract.py,sha256=2sK_WJzmYIc8iuWaM9DA6Nw3_6q1O4lJ5pKpcZo-bBA,6512
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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-0.1.
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hjxdl-0.1.14.dist-info/METADATA,sha256=zSqAbKEZutZyv5WQguUpas0Jm_nTHdBsdUyBpT6o8lQ,543
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hjxdl-0.1.14.dist-info/WHEEL,sha256=Mdi9PDNwEZptOjTlUcAth7XJDFtKrHYaQMPulZeBCiQ,91
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hjxdl-0.1.14.dist-info/top_level.txt,sha256=-kxwTM5JPhylp06z3zAVO3w6_h7wtBfBo2zgM6YZoTk,4
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hjxdl-0.1.14.dist-info/RECORD,,
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