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""" requests.utils ~~~~~~~~~~~~~~ This module provides utility functions that are used within Requests that are also useful for external consumption. """ import codecs import contextlib import io import os import re import socket import struct import sys import tempfile import warnings import zipfile from collections...
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"""Contains tests for the pair class and its methods""" # from python from unittest import TestCase from pathlib import Path from collections import OrderedDict # from dependencies from Bio.SeqFeature import SeqFeature, FeatureLocation from big_scape.comparison.record_pair import RecordPair # from other modules from...
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import logging import numpy as np import pandas as pd from scipy.stats import wilcoxon from sklearn.metrics import average_precision_score from statsmodels.stats.multitest import multipletests from tqdm.auto import tqdm logger = logging.getLogger(__name__) # ------------------------- # Core stats utilities # ------...
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""" Generate the static paper reproduction gallery under ``public/reproduce``. The gallery is built mechanically from the ``meta.yaml`` files of git-tracked reproductions in ``examples/reproduce_papers``. Untracked work in progress is never published. Validation runs first and aborts on the first batch of errors inste...
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# YOLOv5 🚀 by Ultralytics, GPL-3.0 license """ Train a YOLOv5 model on a custom dataset. Models and datasets download automatically from the latest YOLOv5 release. Usage - Single-GPU training: $ python train.py --data coco128.yaml --weights yolov5s.pt --img 640 # from pretrained (recommended) $ python train....
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from pathlib import Path from typing import Any import colorcet as cc import matplotlib.pyplot as plt import networkx as nx import nibabel as nib import numpy as np import numpy.typing as npt from matplotlib.colors import Colormap from matplotlib.figure import Figure from nilearn import image from opioids_analysis.cr...
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import re from typing import Any, Dict, List, Optional import logging import unicodedata from difflib import SequenceMatcher from fastapi import APIRouter, Depends, HTTPException, Query from app.utils.database import Neo4jConnection, get_neo4j_connection from app.utils.schema import ( EntityRelationshipsResponse, ...
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import numpy as np from sklearn.metrics import accuracy_score import tensorflow as tf from tensorflow.keras.models import Sequential from tensorflow.keras.layers import Dense, Dropout from tensorflow.keras.optimizers import Adam import tensorcircuit as tc import jax import optax K = tc.set_backend("jax") tc.set_dtype(...
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from __future__ import annotations import contextlib import functools import logging from collections.abc import Iterable, Iterator, Mapping, Sequence from typing import ( TYPE_CHECKING, Callable, NamedTuple, Protocol, TypeVar, cast, ) from pip._vendor.packaging.requirements import InvalidRequ...
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parent_path = r'/home/student1/Desktop/Charalampos_Lamprou/VarCoNetV2_extras' import sys sys.path.append(parent_path) import torch import torch.nn.functional as F from abc import ABC, abstractmethod from torch.utils.data import Dataset from torch_geometric.data import Dataset as Dataset_geo from torch_geometric...
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from joblib import Parallel, delayed import numpy as np from tqdm import tqdm from lib.mpunits import vectorize import os import cvxpy as cp import scipy.linalg as scl import scipy.io as sio from scipy.ndimage import zoom, gaussian_filter import multiprocessing import warnings class TensorFitting(object): def ...
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import numpy as np from numpy import histogram, histogramdd, histogram_bin_edges from numpy.testing import ( assert_, assert_equal, assert_array_equal, assert_almost_equal, assert_array_almost_equal, assert_raises, assert_allclose, assert_array_max_ulp, assert_raises_regex, suppress_warnings, ) import ...
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""" Basic functions for manipulating 2d arrays """ import functools import operator from numpy._core._multiarray_umath import _array_converter from numpy._core.numeric import ( asanyarray, arange, zeros, greater_equal, multiply, ones, asarray, where, int8, int16, int32, int64, intp, empty, promote_types, ...
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import sys sys.path.insert(0, '/home/panwenxuan/back') import numpy as np import argparse import time import obj import timm.models import yaml import os import logging from random import choice from collections import OrderedDict from contextlib import suppress from datetime import datetime from micro_encoding import ...
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import math import os import time import xml.etree.ElementTree as ET from xml.dom import minidom import multiprocessing as mp import cv2 import matplotlib.pyplot as plt import numpy as np import openslide from PIL import Image import pdb import h5py import math from wsi_core.wsi_utils import savePatchIter_bag_hdf5, ini...
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""" Functions for preparing various inputs passed to the DataFrame or Series constructors before passing them to a BlockManager. """ from __future__ import annotations from collections import abc from typing import ( TYPE_CHECKING, Any, ) import numpy as np from numpy import ma from pandas._config import usi...
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# -*- coding: utf-8 -*- # # KGDataset.py # # Copyright 2020 Amazon.com, Inc. or its affiliates. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache....
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from datetime import datetime import re import numpy as np import pytest from pandas._libs import lib from pandas.errors import UnsupportedFunctionCall import pandas as pd from pandas import ( DataFrame, NamedAgg, Series, ) import pandas._testing as tm from pandas.core.indexes.datetimes import date_range...
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import numpy as np import pytest from pandas._config import using_pyarrow_string_dtype import pandas.util._test_decorators as td from pandas import ( Categorical, DataFrame, DatetimeIndex, NaT, PeriodIndex, Series, TimedeltaIndex, Timestamp, date_range, to_datetime, ) import p...
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"""The runtime functions and state used by compiled templates.""" import functools import sys import typing as t from collections import abc from itertools import chain from markupsafe import escape # noqa: F401 from markupsafe import Markup from markupsafe import soft_str from .async_utils import auto_aiter from ....
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""" The tests exercise the casting machinery in a more low-level manner. The reason is mostly to test a new implementation of the casting machinery. Unlike most tests in NumPy, these are closer to unit-tests rather than integration tests. """ import pytest import textwrap import enum import random import ctypes impo...
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smartsPatts = { 'PubChemFP0': ('[H]', 3), 'PubChemFP1': ('[H]', 7), 'PubChemFP2': ('[H]', 15), 'PubChemFP3': ('[H]', 31), 'PubChemFP4': ('[Li]', 0), 'PubChemFP5': ('[Li]', 1), 'PubChemFP6': ('[B]', 0), 'PubChemFP7': ('[B]', 1), 'PubChemFP8': ('[B]', 3), 'PubChemFP9': ('[C]', 1), 'PubChemFP10': ('[C]', 3), '...
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# Modified from OpenAI's diffusion repos # GLIDE: https://github.com/openai/glide-text2im/blob/main/glide_text2im/gaussian_diffusion.py # ADM: https://github.com/openai/guided-diffusion/blob/main/guided_diffusion # IDDPM: https://github.com/openai/improved-diffusion/blob/main/improved_diffusion/gaussian_d...
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""" AmygdalaEngrams Model This file defines the AmygdalaEngrams model described in: "Werne et al., Learning, sleep replay and consolidation of contextual fear memories: A neural network model." The AmygdalaEngrams model simulates associative learning and consolidation processes in hippocampal-amygdala-cortical circu...
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import numpy as np import scipy import time, os import parmap import copy from tqdm import tqdm import time import logging # ******************************************************** # ******************************************************** # ******************************************************** def parallel_conv_...
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""" SecureTranport support for urllib3 via ctypes. This makes platform-native TLS available to urllib3 users on macOS without the use of a compiler. This is an important feature because the Python Package Index is moving to become a TLSv1.2-or-higher server, and the default OpenSSL that ships with macOS is not capable...
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""" Modules for DQAS framework """ # possibly deprecated, multiprocessing is not the recommended way to do DQAS task now, using vmap! import sys import inspect from functools import partial from multiprocessing import Pool, get_context from typing import ( List, Sequence, Any, Tuple, Callable, ...
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import sys, boto3, os, io, pandas, datetime from scipy import stats from awsglue.transforms import * from awsglue.utils import getResolvedOptions from pyspark.context import SparkContext from awsglue.context import GlueContext from awsglue.job import Job from pyspark.sql import SQLContext from awsglue.dynamicframe imp...
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# YOLOv5 🚀 by Ultralytics, GPL-3.0 license """ Train a YOLOv5 segment model on a segment dataset Models and datasets download automatically from the latest YOLOv5 release. Usage - Single-GPU training: $ python segment/train.py --data coco128-seg.yaml --weights yolov5s-seg.pt --img 640 # from pretrained (recommen...
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""" Stabilizer+T Circuit class using ZX-calculus and JAX. """ from __future__ import annotations from math import ceil from typing import Any, Dict, List, Optional, Sequence, Tuple, Union import re import jax import jax.numpy as jnp import numpy as np import pyzx_param as pyzx from pyzx_param.simulate import Decompos...
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"""AST nodes generated by the parser for the compiler. Also provides some node tree helper functions used by the parser and compiler in order to normalize nodes. """ import inspect import operator import typing as t from collections import deque from markupsafe import Markup from .utils import _PassArg if t.TYPE_CH...
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#!/usr/bin/env python3.7 """Defines Sample class. The copyrights of this software are owned by Duke University. Please refer to the LICENSE and README.md files for licensing instructions. The source code can be found on the following GitHub repository: https://github.com/wmglab-duke/ascent """ import math import os i...
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#!/usr/bin/env python3.7 """Defines Sample class. The copyrights of this software are owned by Duke University. Please refer to the LICENSE and README.md files for licensing instructions. The source code can be found on the following GitHub repository: https://github.com/wmglab-duke/ascent """ import math import os i...
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from __future__ import annotations import itertools from typing import ( TYPE_CHECKING, cast, ) import warnings import numpy as np import pandas._libs.reshape as libreshape from pandas.errors import PerformanceWarning from pandas.util._decorators import cache_readonly from pandas.util._exceptions import find...
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# Copyright (c) 2010-2020 Benjamin Peterson # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, publi...
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from __future__ import annotations import email.feedparser import email.header import email.message import email.parser import email.policy import pathlib import sys import typing from typing import ( Any, Callable, Generic, Literal, TypedDict, cast, ) from . import licenses, requirements, spe...
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from itertools import permutations import re import numpy as np import pytest import pandas as pd from pandas import ( Index, Interval, IntervalIndex, Timedelta, Timestamp, date_range, interval_range, isna, notna, timedelta_range, ) import pandas._testing as tm import pandas.co...
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#!/usr/bin/env python3 """Repository-wide sanity checks for TensorCircuit-NG.""" from __future__ import annotations import argparse import ast import io import json import re import subprocess import sys import tokenize from collections import Counter, defaultdict from dataclasses import asdict, dataclass from pathli...
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#!/usr/bin/env python3 from __future__ import annotations import enum import json from datetime import datetime, timedelta, timezone from typing import Any from unittest import main, mock, TestCase from urllib.error import HTTPError, URLError import greenlight_ledger from greenlight_guard import ( evaluate_green...
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from __future__ import annotations import email.feedparser import email.header import email.message import email.parser import email.policy import pathlib import sys import typing from typing import ( Any, Callable, Generic, Literal, TypedDict, cast, ) from . import licenses, requirements, spe...
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""" test with the TimeGrouper / grouping with datetimes """ from datetime import ( datetime, timedelta, ) import numpy as np import pytest import pytz import pandas as pd from pandas import ( DataFrame, DatetimeIndex, Index, MultiIndex, Series, Timestamp, date_range, offsets, )...
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import numpy as np import pytest import pandas as pd from pandas import ( CategoricalDtype, CategoricalIndex, DataFrame, IntervalIndex, MultiIndex, RangeIndex, Series, Timestamp, ) import pandas._testing as tm class TestDataFrameSortIndex: def test_sort_index_and_reconstruction_do...
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""" Tests for array coercion, mainly through testing `np.array` results directly. Note that other such tests exist, e.g., in `test_api.py` and many corner-cases are tested (sometimes indirectly) elsewhere. """ from itertools import permutations, product import pytest from pytest import param import numpy as np impor...
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# Copyright 2024 RADar-AZDelta # SPDX-License-Identifier: gpl3+ # pylint: disable=unsubscriptable-object import logging import logging.config import sys import traceback from argparse import ArgumentParser, RawTextHelpFormatter from configparser import ConfigParser from os import environ as env from os import getcwd, ...
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# -*- coding: utf-8 -*- # Time : 2023/2/14 11:52 # Author : Regulus # FileName: main_visual_losslandscape.py # Explain: # Software: PyCharm from loss_landscape.plot_surface import * import argparse import math import time import CKA import numpy import timm.models import random as rd import yaml import ...
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import torch import torchaudio import random import numpy as np import sys import scipy.signal as sps sys.path.append('/om/user/imgriff/python-packages/chcochleagram') import chcochleagram from chcochleagram import compression from chcochleagram import cochleagram from chcochleagram import * from .time_domain_cochleagr...
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""" Test cases for .hist method """ import re import numpy as np import pytest from pandas import ( DataFrame, Index, Series, date_range, to_datetime, ) import pandas._testing as tm from pandas.tests.plotting.common import ( _check_ax_scales, _check_axes_shape, _check_colors, _chec...
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""" Pauli Propagation Engine ======================== This module implements a Pauli Propagation Engine (PPE) that tracks the evolution of Pauli observables through a quantum circuit using a global k-local representation. Key Features: - Tracks all k-local Pauli strings globally, avoiding subset boundary issues. ...
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from inspect import signature import numpy as np import pandas as pd from pandas import unique import matplotlib.pyplot as pl from matplotlib.colors import is_color_like from anndata import AnnData from scvelo import logging as logg from scvelo import settings from scvelo.preprocessing.neighbors import get_connecti...
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from __future__ import annotations import datetime from functools import partial from textwrap import dedent from typing import TYPE_CHECKING import numpy as np from pandas._libs.tslibs import Timedelta import pandas._libs.window.aggregations as window_aggregations from pandas.util._decorators import doc from panda...
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"""Independent Component Analysis by Entropy Bound Rate Minimization (ICA-ERBM). This code is based on :cite:t:`Li2010B` and :cite:t:`Fu2014`. It was converted from matlab versions provided by the MLSP Lab at the University of Maryland, which is available here: https://mlsp.umbc.edu/resources.html. """ import scipy ...
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from __future__ import annotations import warnings from .backend import transformations, validations, selections, counts, metrics, utils class textstatistics: """Main textstat class with methods to calculate readability indices. Attributes ---------- text_encoding : str Default: "utf-8" ...
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""" Routines for filling missing data. """ from __future__ import annotations from functools import wraps from typing import ( TYPE_CHECKING, Any, Literal, cast, overload, ) import numpy as np from pandas._libs import ( NaT, algos, lib, ) from pandas._typing import ( ArrayLike, ...
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"""Single-movement models from the literature, implemented for your pleasure. """ import logging from numpy.linalg import multi_dot as mdot from scipy.linalg import block_diag import numpy as np class LinearTodorov(): """Model for hand movements. Implements the linear model of "hand movements" as presented ...
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""" Test cases for Series.plot """ from datetime import datetime from itertools import chain import numpy as np import pytest from pandas.compat import is_platform_linux from pandas.compat.numpy import np_version_gte1p24 import pandas.util._test_decorators as td import pandas as pd from pandas import ( DataFrame...
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"""Tests for cluster analysis plot helper functions. Covers: - _get_cluster_data_from_db: early-return and data-retrieval paths - Plot function "no data" early-return branches - Interactive hover/click handler closures """ from __future__ import annotations import gc from pathlib import Path from typing import TYPE_...
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import warnings import gc import pathlib import os from typing import List, Union, Callable import numpy as np import scipy.signal import cupy as cp import cupyx import cupyx.scipy.ndimage from pydantic import BaseModel, ValidationError from tqdm.auto import tqdm import h5py from .warp import warp_volume from .utils ...
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""" pygments.lexer ~~~~~~~~~~~~~~ Base lexer classes. :copyright: Copyright 2006-2025 by the Pygments team, see AUTHORS. :license: BSD, see LICENSE for details. """ import re import sys import time from pip._vendor.pygments.filter import apply_filters, Filter from pip._vendor.pygments.filters im...
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# -*- coding: utf-8 -*- """ Created on Tue Oct 15 12:02:16 2024 @author: Administrator """ import pandas as pd import numpy as np import torch from sklearn.model_selection import train_test_split from sklearn.preprocessing import StandardScaler import torch.nn as nn import math import torch.optim as optim from sklear...
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from __future__ import annotations import re from itertools import zip_longest from pathlib import Path from typing import TYPE_CHECKING, Any, cast import numpy as np import pandas as pd from scipy.ndimage import gaussian_filter1d from cali._constants import ( EVK_NON_STIM, EVK_STIM, MEAN_SUFFIX, N_S...
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""" requests.models ~~~~~~~~~~~~~~~ This module contains the primary objects that power Requests. """ import datetime # Import encoding now, to avoid implicit import later. # Implicit import within threads may cause LookupError when standard library is in a ZIP, # such as in Embedded Python. See https://github.com/p...
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from __future__ import annotations from io import ( BytesIO, StringIO, ) import os import numpy as np import pytest import pandas.util._test_decorators as td from pandas import ( NA, DataFrame, Index, ) import pandas._testing as tm from pandas.io.common import get_handle from pandas.io.xml impo...
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## ........................................................................... ## ## PIMMS (Polymer Interactions in Multicomponent Mixtures) ## Alex Holehouse, Pappu Lab, Holehouse Lab ## Copyright 2015 - 2026 ## ........................................................................... import numpy as np import co...
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Python
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import threading # ignore deprecation warnings from oasis import warnings from collections.abc import Generator, Iterable from concurrent.futures import FIRST_COMPLETED, Future, ThreadPoolExecutor, wait from datetime import datetime from typing import Callable, cast import numpy as np from oasis.functions import GetS...
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Python
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"""Main experiment. Run to execute experiment. The code here relies on the QTM streaming markers with certain labels, regardless of the order. There are three markers that are necessary: - The fingertip marker, which should be labeled F1. - The two top markers on the printout, labeled TL for the top-left one, and TR ...
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""" Some misc. utilities. """ import numpy as np import matplotlib.pyplot as plt import os import numpy as np import pandas as pd from scipy import signal from scipy.stats import zscore from rastermap import Rastermap from scipy.stats import skew, kurtosis from scipy.signal import welch from tqdm import tqdm from scip...
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import copy import numpy as np import pandas as pd from anndata import AnnData from typing import Optional, Union from shapely.geometry import Point, MultiPoint from pathlib import Path from scipy.sparse import spmatrix, issparse, csr_matrix class Cell(object): def __init__( self, cel...
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Python
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import inspect import linecache import os import sys from dataclasses import dataclass, field from itertools import islice from traceback import walk_tb from types import ModuleType, TracebackType from typing import ( Any, Callable, Dict, Iterable, List, Optional, Sequence, Set, Tupl...
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"""Visualization functions for cerebellar cortical data. Provides plotting in normal 3D and inflated 3D views using PyVista, as well as flatmap view using Matplotlib. """ # --------------------------------------------------------------------------- # Authors: John G Samuelson <johnsam@mit.edu> # Christoph Din...
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Python
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import torch from e3nn import o3, nn import matplotlib.pyplot as plt import os import warnings import torch_geometric from e3nn.math import soft_one_hot_linspace,soft_unit_step from torch_scatter import scatter from e3nn.nn import Gate from e3nn.util.jit import compile_mode from torch_geometric.data import Data fro...
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Python
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"""Simulate bimodal data as a toy model for concurrent EEG–fNIRS data. Follows an approach inspired by Dähne et al., 2014. Reference: https://doi.org/10.1016/j.neuroimage.2014.01.014 """ import yaml from argparse import Namespace import random import math import numpy as np import xarray as xr import matplotlib.pyp...
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Python
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import numpy as np import pandas as pd import customtkinter from tkinter import filedialog, messagebox from utils.image_utils import load_svg_image from ui.widgets import Tooltip from ui.window import set_window_style, set_window_icon class LoadFileDialog(customtkinter.CTkToplevel): def __init__(self, parent, defa...
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""" Comprehensive tests for confounder estimation, AIPW inference, and their combination. Test IDs follow the plan in plan/20260520_comprehensive_test_plan.md. Run fast suite (skip slow): pytest -m "not slow" tests/test_inference_comprehensive.py Run all: pytest tests/test_inference_comprehensiv...
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Python
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""" Binary serialization NPY format ========== A simple format for saving numpy arrays to disk with the full information about them. The ``.npy`` format is the standard binary file format in NumPy for persisting a *single* arbitrary NumPy array on disk. The format stores all of the shape and dtype information necess...
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Python
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import sys import numpy as np import argparse import time import timm.models import yaml import os import logging from random import choice from collections import OrderedDict from contextlib import suppress from datetime import datetime from micro_encoding import ops from braincog.base.node.node import * from braincog...
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Python
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import numpy as np import pytest import pandas as pd from pandas import ( DataFrame, Index, Series, Timestamp, ) import pandas._testing as tm @pytest.fixture( params=[["linear", "single"], ["nearest", "table"]], ids=lambda x: "-".join(x) ) def interp_method(request): """(interpolation, method...
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Python
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from __future__ import annotations import os.path import re import sys import textwrap from abc import ABC, abstractmethod from pathlib import Path from typing import ( Any, Dict, Iterable, List, NamedTuple, Optional, Sequence, Set, Tuple, Type, Union, ) from pip._vendor.py...
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Python
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""" DQAS application kernels as vag functions """ from functools import lru_cache, partial, reduce import logging import operator from typing import ( List, Sequence, Any, Tuple, Callable, Iterator, Optional, Union, ) import networkx as nx import numpy as np import tensorflow as tf fr...
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Python
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import builtins import collections import dataclasses import inspect import os import reprlib import sys from array import array from collections import Counter, UserDict, UserList, defaultdict, deque from dataclasses import dataclass, fields, is_dataclass from inspect import isclass from itertools import islice from t...
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Python
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# -*- coding: utf-8 -*- """ This is a collection of analysis tools, both for individual cells and populations Created on Mon Nov 7 11:08:13 2022 @author: glorenz """ import os, sys import numpy as np import itertools import matplotlib.pyplot as plt import seaborn as sns import pandas as pd import h5py import scipy ...
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Python
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from datetime import timedelta import re import numpy as np import pytest from pandas._libs import index as libindex from pandas.errors import ( InvalidIndexError, PerformanceWarning, ) import pandas as pd from pandas import ( Categorical, DataFrame, Index, MultiIndex, date_range, ) impor...
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Python
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import os import stat import sys import typing as t from datetime import datetime from gettext import gettext as _ from gettext import ngettext from ._compat import _get_argv_encoding from ._compat import open_stream from .exceptions import BadParameter from .utils import format_filename from .utils import LazyFile fr...
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Python
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import calendar import datetime import decimal import json import locale import math import re import time import dateutil import numpy as np import pytest import pytz import pandas._libs.json as ujson from pandas.compat import IS64 from pandas import ( DataFrame, DatetimeIndex, Index, NaT, Perio...
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Python
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import pandas as pd import numpy as np import matplotlib.pyplot as plt from mne.stats import permutation_cluster_test from matplotlib.colors import LinearSegmentedColormap import pyvista as pv import statsmodels.api as sm np.random.seed(42) # ===================================================================...
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Python
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import datetime from datetime import timedelta import re import numpy as np import pytest from pandas._libs.tslibs import Timestamp import pandas.util._test_decorators as td import pandas as pd from pandas import ( DataFrame, Index, Series, _testing as tm, concat, date_range, read_hdf, ) ...
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Python
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#!/usr/bin/env python3.7 """The copyrights of this software are owned by Duke University. Please refer to the LICENSE and README.md files for licensing instructions. The source code can be found on the following GitHub repository: https://github.com/wmglab-duke/ascent """ import json import os import re import shuti...
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Python
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import builtins import datetime as dt from string import ascii_lowercase import numpy as np import pytest from pandas._libs.tslibs import iNaT from pandas.core.dtypes.common import pandas_dtype from pandas.core.dtypes.missing import na_value_for_dtype import pandas as pd from pandas import ( DataFrame, Mult...
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Python
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""" This module contains a set of functions for record arrays. """ import os import warnings from collections import Counter from contextlib import nullcontext from .._utils import set_module from . import numeric as sb from . import numerictypes as nt from .arrayprint import _get_legacy_print_mode # All of the funct...
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Python
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"""Dataclasses for representing geometric objects.""" from abc import ABC, abstractmethod from dataclasses import dataclass, field from enum import Enum from functools import total_ordering from typing import Any from copy import deepcopy import mne import numpy as np import pint import pyvista as pv import trimesh i...
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"""Contains classes and functions for generating bins of Regions to compare At this level, the comparisons are referred to as pairs. Whenever anything talks about pairs, it refers to things generated from these classes. This is distinct from what are referred to as edges, which are pairs that have a (set of) distances...
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Python
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import numpy as np import sys, os, math import datetime as dt import scipy, scipy.signal import parmap from scipy.interpolate import splrep, splev, make_interp_spline, splder, sproot, interp1d from tqdm import tqdm # doing imports inside module until travis is fixed # Cat: TODO: move these to the top once Peter's work...
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Python
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from __future__ import annotations import contextlib import datetime as pydt from datetime import ( datetime, timedelta, tzinfo, ) import functools from typing import ( TYPE_CHECKING, Any, cast, ) import warnings import matplotlib.dates as mdates from matplotlib.ticker import ( AutoLocator...
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Python
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from __future__ import annotations import ast import collections.abc as cabc import importlib.metadata import inspect import os import platform import re import sys import traceback import typing as t from functools import update_wrapper from operator import itemgetter from types import ModuleType import click from c...
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import numpy as np import pytest from pandas._libs.tslibs import Timestamp import pandas as pd from pandas import ( DataFrame, HDFStore, Index, MultiIndex, Series, _testing as tm, bdate_range, concat, date_range, isna, read_hdf, ) from pandas.tests.io.pytables.common import...
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#!/usr/bin/env python3.7 """Defines Query class. The copyrights of this software are owned by Duke University. Please refer to the LICENSE and README.md files for licensing instructions. The source code can be found on the following GitHub repository: https://github.com/wmglab-duke/ascent """ import os import pickle...
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Python
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#!/usr/bin/env python3.7 """The copyrights of this software are owned by Duke University. Please refer to the LICENSE and README.md files for licensing instructions. The source code can be found on the following GitHub repository: https://github.com/wmglab-duke/ascent """ import json import os import re import shuti...
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Python
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import contextlib import datetime as dt import hashlib import tempfile import time import numpy as np import pytest import pandas as pd from pandas import ( DataFrame, DatetimeIndex, Index, MultiIndex, Series, Timestamp, concat, date_range, period_range, timedelta_range, ) impo...
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Python
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"""ASE Calculator for MACE-H Hamiltonian prediction. Provides a Calculator interface that loads a trained MACE-H model and predicts Hamiltonians for arbitrary ASE Atoms objects with periodic boundary conditions. Example ------- from maceh.calculator import MACEHCalculator from ase.io import read calc = M...
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Python
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import re import numpy as np import pytest import pandas.util._test_decorators as td import pandas as pd from pandas import ( Categorical, DataFrame, Index, MultiIndex, Series, Timestamp, bdate_range, concat, merge, option_context, ) import pandas._testing as tm def get_test...
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Python
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import gzip import os import pickle from itertools import chain, combinations from typing import Any import numpy as np import torch from ase import Atoms from AIMD import arguments from AIMD.fragment import FragmentData from AIMD.preprocess import Preprocess from AIMD.protein import Protein from Calculators.device_s...