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import matplotlib matplotlib.use('agg') import matplotlib.pyplot as plt import pandas as pd import numpy as np from palettable.colorbrewer.sequential import Greens_9 from palettable.colorbrewer.qualitative import Paired_12 from matplotlib.patches import Patch import seaborn as sns from collections import Count...
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# %% """ ============================================================== Attempt to classify MEG data in the source space - neuronal avalanches vs classical approaches - Plot ROC curves - Rebuttal analysis =============================================================== """ # Authors: Marie-Constance Corsi <marie-consta...
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import os import tempfile import numpy as np import numpy.testing as np_test import pytest from skbase.utils.dependencies import _check_soft_dependencies from pgmpy import config from pgmpy.factors.discrete import TabularCPD from pgmpy.models import DiscreteBayesianNetwork from pgmpy.readwrite import XMLBIFReader, XM...
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# Copyright 2021 DeepMind Technologies Limited # # 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.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agr...
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# Copyright 2020 Division of Medical Image Computing, German Cancer Research Center (DKFZ), Heidelberg, Germany # # 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://w...
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import pdb import torch.nn as nn import math import torch.utils.model_zoo as model_zoo BatchNorm = nn.BatchNorm2d # __all__ = ['DRN', 'drn26', 'drn42', 'drn58'] webroot = 'http://dl.yf.io/drn/' model_urls = { 'resnet50': 'https://download.pytorch.org/models/resnet50-19c8e357.pth', 'drn-c-26': webroot + '...
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import numpy as np import pandas as pd import pytest from skbase.utils.dependencies import _check_soft_dependencies from pgmpy.factors.discrete import TabularCPD as LegacyTabularCPD from pgmpy.models import DiscreteBayesianNetwork from pgmpy.parameter_estimator import DiscreteMLE from pgmpy.parameterization.cpds impor...
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"""Execution policies for the persistent shell middleware.""" from __future__ import annotations import abc import json import os import shutil import subprocess import sys import typing from collections.abc import Mapping, Sequence from dataclasses import dataclass, field from pathlib import Path try: # pragma: no...
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# -*- coding: utf-8 -*- """ Created on Mon Oct 22 15:57:43 2018 @author: 2624224 """ from math import pi import random from OCC.Core.BRepBuilderAPI import (BRepBuilderAPI_Transform, BRepBuilderAPI_MakeWire, BRepBuilderAPI_MakeEdge, BRepBuilderAPI_MakeFace) from OCC.Core.BRepFeat impor...
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# Copyright 2021 AlQuraishi Laboratory # Copyright 2021 DeepMind Technologies Limited # # 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.org/licenses/LICENSE-2.0 # # U...
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# utility functions for compiling responses import pandas as pd import numpy as np from chreyesees import colormedulla from chreyesees import OPSINS, LEDS import puffbird as pb from chreyesees import transform from chreyesees.analysis import CI_INTERVAL def get_Q_given_other( k, k_other, cell_types, ): r_info...
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"""Environment diagnostics should report actionable failures without workloads.""" from contextlib import nullcontext import io import os from pathlib import Path import subprocess import sys import tempfile from types import SimpleNamespace import unittest from unittest.mock import Mock, patch import check_environme...
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# Copyright (c) MONAI Consortium # 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.org/licenses/LICENSE-2.0 # Unless required by applicable law or agreed to in writing, so...
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# Copyright (c) MONAI Consortium # 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.org/licenses/LICENSE-2.0 # Unless required by applicable law or agreed to in writing, so...
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"""Module Description Copyright (c) 2014, Ying Jin <yjin@cshl.edu > This code is free software; you can redistribute it and/or modify it under the terms of the Artistic License (see the file COPYING included with the distribution). @author: Ying Jin @contact: yjin@cshl.edu """ import sys import time import loggi...
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import inspect from itertools import product from numbers import Number import numpy as np import pandas as pd import torch from scipy.spatial import Delaunay from dreye.api.convex import in_hull from sklearn.linear_model import LinearRegression from scipy.optimize import least_squares from chreyesees.rbf.rbfinterp imp...
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import math from math import sqrt import numpy as np import torch from torch import nn, einsum import torch.nn as nn import torch.nn.functional as F from torch.nn import Softmax import torch.optim as optim import torch.utils.data as Data from torch.utils.checkpoint import checkpoint, checkpoint_sequential from sklearn....
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import copy import torch import os from tqdm import tqdm import numpy as np from CEL.utils.register import register import torch.nn as nn import optax import equinox as eqx import jax from CEL.data.data_manager import MyDataLoader from CEL.networks.models.meta_model import ModelClass import pathlib from munch import M...
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# Copyright 2020 Division of Medical Image Computing, German Cancer Research Center (DKFZ), Heidelberg, Germany # # 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://w...
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import logging from collections.abc import Callable from typing import NamedTuple import numpy as np import torch import torchmetrics from torch import nn from scvi.module.base import BaseModuleClass, LossOutput, auto_move_data logger = logging.getLogger(__name__) class _REGISTRY_KEYS_NT(NamedTuple): X_KEY: st...
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# Copyright (c) 2023 Shihao Ma, Haotian Cui, WangLab @ U of T # This source code is modified from https://github.com/yuyangw/MolCLR # under MIT License. The original license is included below: # ======================================================================== # MIT License # Copyright (c) 2021 Yuyang Wang #...
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import glob import os import pathlib import shutil import tempfile import traceback from copy import deepcopy from typing import List, Optional, Union from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem.MolStandardize import rdMolStandardize from .xtbp import XTBP, RunXTB class Tautomerize: ""...
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"""Combine many documents together by recursively reducing them.""" from __future__ import annotations from collections.abc import Callable from typing import Any, Protocol from langchain_core._api import deprecated from langchain_core.callbacks import Callbacks from langchain_core.documents import Document from pyd...
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#!/usr/bin/python # -*- coding: utf-8 -*- import numpy as np import matplotlib.pyplot as plt import matplotlib from sklearn.metrics import log_loss from SMdRQA.RQA_functions import doanes_formula from SMdRQA.RQA_functions import binscalc from SMdRQA.RQA_functions import mutualinfo from SMdRQA.RQA_functions import time...
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# This script is part of navis (http://www.github.com/navis-org/navis). # Copyright (C) 2018 Philipp Schlegel # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of...
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# Time-stamp: <2011-02-14 15:49:14 Tao Liu> """Module Description Copyright (c) 2008,2009,2010,2011 Hyunjin Shin, Tao Liu <taoliu@jimmy.harvard.edu> This code is free software; you can redistribute it and/or modify it under the terms of the BSD License (see the file COPYING included with the distribution). @status:...
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# -*- coding: utf-8 -*- """. Created on Thu Apr 21 14:38:31 2022 @author: ywjin0707 scRNA-seq datasets sample bulk dataset (TCGA) 'D:/OneDrive/210831_Bioinformatics/DATA/TCGA/TCGA_GDC_HTSeq_Counts.txt' GRCh37.87 download link: http://ftp.ensembl.org/pub/grch37/release-100/gtf/homo_sapiens/ GRCh38.106 download link: ...
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from functools import partial from typing import NamedTuple from flax.core.frozen_dict import freeze import flax.linen as nn from flax.training import checkpoints from flax.training.train_state import TrainState import jax import jax.numpy as jnp import optax from tqdm import tqdm from chemoxrl.cell import MultiCell ...
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"""Synthetic CPU tests for the unified CLI and affine-aware deployment.""" import argparse import json import os from pathlib import Path import subprocess import sys import tempfile import unittest from unittest.mock import patch import numpy as np import nibabel as nib import SimpleITK as sitk import torch import tr...
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import os.path import pickle from functools import partial from itertools import islice from typing import List, Optional from pymatgen.core.structure import IStructure from pymatgen.io.ase import AseAtomsAdaptor import ase import ase.io import numpy as np import torch.multiprocessing as mp import tqdm from ase.io.uti...
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# Copyright 2021 AlQuraishi Laboratory # # 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.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to i...
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import warnings import torch.nn.functional as F import torch import time import os import random import numpy as np import logging.config import logging import datetime import argparse from utils.utils import get_cnn_minibatch, stat, train_stat, current_time, imbalence_split from torch_geometric.loader impo...
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########################################################################################### # # # This sample shows how to evaluate object detections applying the following metrics: # # * Precision x Recall curve ----> ...
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import matplotlib matplotlib.rcParams['pdf.fonttype'] = 42 matplotlib.use('agg') import matplotlib.pyplot as plt from matplotlib.ticker import MaxNLocator import pandas as pd import numpy as np from sklearn.decomposition import PCA, SparsePCA from sklearn.manifold import TSNE from sklearn.cluster import KMea...
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# Copyright 2020 DeepMind Technologies Limited. # # 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 # # https://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed...
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import pandas as pd import argparse from utils import set_seed import numpy as np import wandb import os import torch import torch.nn as nn from torch.utils.data import DataLoader from torch.nn import functional as F from torch.cuda.amp import GradScaler from model import GPT, GPTConfig from trainer import Trainer, Tr...
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#!/usr/bin/env python import argparse import numpy as np import sys import cv2 import tritonclient.grpc as grpcclient from tritonclient.utils import InferenceServerException from processing import preprocess, postprocess from render import render_box, render_filled_box, get_text_size, render_text, RAND_COLORS from l...
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"""Module contains code for a cache backed embedder. The cache backed embedder is a wrapper around an embedder that caches embeddings in a key-value store. The cache is used to avoid recomputing embeddings for the same text. The text is hashed and the hash is used as the key in the cache. """ from __future__ import ...
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# Imports from cmath import inf import sys import os import argparse import inspect from datetime import datetime import numpy as np import torch import torch.optim as optim import dynamo as dyn try: from torchdiffeq.__init__ import odeint_adjoint as odeint except ImportError: from torchdiffeq import odeint_...
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from torch import matmul, relu, cat, real from torch.linalg import eig from torch.autograd.functional import hessian import pickle as pkl from types import SimpleNamespace from plotly.subplots import make_subplots import plotly.graph_objects as go from config import Scenario import json import numpy as np fro...
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#!/usr/bin/env python3 """ Simple SMT File Reader - Reads .smt files and outputs to a single .txt file """ import os import sys import struct import numpy as np import pandas as pd def read_smt_file(input_file, output_file=None): """Read a .smt file and convert to a readable txt file""" if output_file is...
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import matplotlib matplotlib.use('agg') import matplotlib.pyplot as plt from argparse import ArgumentParser from scipy.stats import hypergeom import pandas as pd import numpy as np import pickle from argparse import RawTextHelpFormatter pd.set_option('display.max_rows', 400) pd.set_option('display.max_column...
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import configparser import cv2 import numpy as np import os import copy from skimage.segmentation import watershed # Credit: https://stackoverflow.com/questions/2068372/fastest-way-to-list-all-primes-below-n-in-python/3035188#3035188 def primesto(n): """ Returns a array of primes, 3 <= p < n """ sieve = np.on...
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import torch import torch.nn as nn import timm import types import math import torch.nn.functional as F class Slice(nn.Module): def __init__(self, start_index=1): super(Slice, self).__init__() self.start_index = start_index def forward(self, x): return x[:, self.start_index :] class...
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# Copyright (c) 2022, NVIDIA CORPORATION & AFFILIATES. All rights reserved. # # NVIDIA CORPORATION and its licensors retain all intellectual property # and proprietary rights in and to this software, related documentation # and any modifications thereto. Any use, reproduction, disclosure or # distribution of this sof...
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Python
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import os from os.path import join as opj from torch.utils.data import DataLoader, WeightedRandomSampler from torch.optim.lr_scheduler import MultiStepLR from pandas import DataFrame, read_csv import torch from torch import nn import numpy as np import pickle from scipy.stats import pearsonr, spearmanr # command line ...
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# Copyright (c) MONAI Consortium # 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.org/licenses/LICENSE-2.0 # Unless required by applicable law or agreed to in writing, so...
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# This script is part of pymaid (http://www.github.com/navis-org/pymaid). # Copyright (C) 2017 Philipp Schlegel # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of ...
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""" OmicScope Module OmicScope allows user to import data and perform statistical analysis for differential gene/protein expression. This is the key module of all OmicScope workflow, being the input for all other modules. """ import warnings from .Input import Input from .Stats.imputation import value_imputation fr...
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from __future__ import annotations import warnings from typing import Callable from typing import List from typing import Optional from typing import Type from typing import Union import torch import torch.nn as nn task_mapping = { "autoencoder": "autoencoding", "colorization": "colorization", "curvature...
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""" 2023.08.30 author: femke.hurtak@epfl.ch script to draw the meta network, obtained by clustering the neurons. Each node of the meta network is a cluster of neurons, and the edges are the connections between the clusters. """ import networkx as nx import matplotlib.pyplot as plt import os import pandas as pd import...
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import matplotlib matplotlib.use('agg') import matplotlib.pyplot as plt import pandas as pd import numpy as np from palettable.colorbrewer.sequential import Greens_9 from palettable.colorbrewer.qualitative import Paired_12 from matplotlib.patches import Patch import seaborn as sns from collections import Count...
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#!/usr/bin/env python # -*- encoding: utf-8 -*- ''' @Description: : @Date : 2022/06/15 09:38:31 @Author : Zilan Yu @version : 1.0 ''' import pandas as pd import os import random root_clustered = "../clustered_datasets" clustered_iedb_filepath = os.path.join(root_clustered, "clustered_iedb.tsv") clus...
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import torch import torch.nn as nn import numpy as np import random import matplotlib.pyplot as plt import os import math import matplotlib.pyplot as plt import matplotlib.animation as animation import torch.nn.functional as F device = torch.device("cuda" if torch.cuda.is_available() else "cpu") # save image, and sav...
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import numpy as np import matplotlib.pyplot as plt import torch from scipy import stats import time from omegaconf import OmegaConf from dipy.data import fetch_stanford_hardi, read_stanford_hardi, read_stanford_t1, read_stanford_pve_maps from dipy.denoise.localpca import mppca from dipy.denoise.patch2self import patch...
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import csv import pandas as pd from scipy import stats from statsmodels.miscmodels.ordinal_model import OrderedModel import numpy as np import matplotlib import matplotlib.pyplot as plt import collections import math import os from collections import defaultdict import copy from icecream import ic def boxplot(shap, n...
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import numpy as np import copy from scipy.special import expit from neural_net_utils import random_weight_init, check_dims ###################### ### Nonlinearities ### ###################### class Nonlin(object): @staticmethod def f(x): raise NotImplementedError() @static...
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# emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*- # vi: set ft=python sts=4 ts=4 sw=4 et: """ Datasets with multiple phase encoded directions. .. _sdc_pepolar : :abbr:`PEPOLAR (Phase Encoding POLARity)` techniques ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ This corresponds to `this s...
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# Analyses of the DNN representations # Copyright (c) 2021 Laurent Caplette import numpy as np from sklearn.decomposition import PCA import nltk from nltk.corpus import wordnet as wn import csv, os, re import torch from torch import nn from robustness.datasets import ImageNet from robustness.model_utils import make_an...
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import argparse import random import mxnet as mx import mxnet.ndarray as nd from hko_factory import HKONowcastingFactory from nowcasting.config import cfg, cfg_from_file, save_cfg from nowcasting.my_module import MyModule from nowcasting.hko_benchmark import * from nowcasting.encoder_forecaster import encoder_forecaste...
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#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Fri Mar 15 11:44:13 2024 @author: baran """ import mat73 import scipy import numpy as np from matplotlib import pyplot as plt from bisect import bisect_left import matplotlib def return_unit_lifetimes(spikeTimes, spikesByCluster, num_units, days, time_bo...
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# base file : 201010_createref.ipynb import os import sys import multiprocessing import numpy as np import pandas as pd import matplotlib.pyplot as plt import seaborn as sns from tqdm import tqdm import scipy.stats as stats import statsmodels.stats.multitest as multi import matplotlib as mpl mpl.rcParams['figure.fac...
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import socket from typing import Any from unittest.mock import patch import httpx import pytest from langchain_core._security import ( SSRFBlockedError, SSRFPolicy, SSRFSafeSyncTransport, SSRFSafeTransport, ssrf_safe_async_client, ssrf_safe_client, validate_hostname, validate_resolved_...
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""" Script for running Chainsaw Created by: Jude Wells 2023-04-19 User can provide any of the following as an input to get predictions: - a single uniprot id (alphafold model will be downloaded and parsed) - a list of uniprot ids (alphafold model will be downloaded and parsed) - a list of pdb ids (alphafo...
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"""Analyze git diffs to determine which directories need to be tested. Intelligently determines which LangChain packages and directories need to be tested, linted, or built based on the changes. Handles dependency relationships between packages, maps file changes to appropriate CI job configurations, and outputs JSON ...
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#!/usr/bin/env python3 import pandas as pd from Bio import SeqIO from sklearn.feature_extraction.text import CountVectorizer import warnings import torch import torch.nn as nn import torch.optim as optim from torch.utils.data import DataLoader import numpy as np import pandas as pd import pickle, os # from multiprocess...
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import argparse import multiprocessing as mp from pathlib import Path import parmap from cwas.core.common import chunk_list from tqdm import tqdm import re import zarr import yaml import pandas as pd import numpy as np from functools import partial import cwas.utils.log as log from cwas.core.categorization.categorize...
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#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ POCIF-BAT R3 — Addendum de préenregistrement, cycle des hypothèses H-R2-5 et H-R2-6. Ce fichier est écrit et haché AVANT tout calcul sur le corpus PINN4SOH. Il ne modifie aucun seuil : les seuils de H-R2-5 et H-R2-6 demeurent ceux du préenregistrement R2, dont le cond...
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""" Analyze perses calculations for a benchmark set of ligands annotated with experimental data """ # SDF filename containing all ligands annotated with experimental data # Ligands should be annotated with experimental data using the SD tags # EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL # EXP_BINDING_AFFINITY_IN_KCAL_PER_MO...
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# Copyright (c) MONAI Consortium # 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.org/licenses/LICENSE-2.0 # Unless required by applicable law or agreed to in writing, so...
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import os import torch import tarfile import numpy as np import os.path as osp from tqdm import tqdm from ase.db import connect from argparse import Namespace from torch_geometric.data import Data from torch_geometric.data import InMemoryDataset, download_url import logging logger = logging.getLogger() def random_sp...
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import argparse import sys import time #argv = sys.argv #dataset = argv[1] #'mouse_human_sagittal'# #argv[1] = dataset def acm_params(): parser = argparse.ArgumentParser() parser.add_argument('--save_emb', action="store_true", default=True) parser.add_argument('--turn', type=int, default=0) parser.add...
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# Rdkit import should be first, do not move it try: from rdkit import Chem except ModuleNotFoundError: pass import argparse import torch import numpy as np from tqdm import tqdm from eval_follow_edm.datasets_config import get_dataset_info from eval_follow_edm.analyze import analyze_stability_for_molecules from...
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import copy import numpy import matplotlib.axes import matplotlib.lines import matplotlib.patches import matplotlib.collections import scana __all__ = ['SignalArtist', 'DEFAULT_NUM_BINS'] DEFAULT_NUM_BINS = 100 class SignalArtist: DEFAULT_COLOR = '#00AABB' DEFAULT_ALPHA = 1.0 DEFAULT_ALPHA_SCALE_FILL...
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import numpy as np from pensa.statesinfo import get_discrete_states from pensa.comparison import ssi_ensemble_analysis, relative_entropy_analysis from pensa.features import get_multivar_res import scipy.spatial.distance import matplotlib.pyplot as plt import os from scipy.optimize import curve_fit # -- Functions for ...
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########################################### # IMPORTS ########################################### from simtk import unit, openmm from nose.tools import nottest from unittest import skipIf from perses.app.setup_relative_calculation import * from perses.annihilation.relative import HybridTopologyFactory from perses.app.r...
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import matplotlib.pyplot as plt import napari import numpy as np import tifffile import time from scipy.ndimage import affine_transform class ObliqueStackProcessor: def __init__(self, theta, camera_pixel_size_xy_um, z_step_um, z_pixel_shape, y_pixel_shape, x_pixel_shape): self.theta = theta self.r...
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''' This module provides implementations for training different variants of Auto-encoders, modifications on standard gradient decent are provided (centering, denoising, dropout, sparseness, contractiveness, slowness L1-decay, L2-decay, momentum, gradient restriction) :Implemented: - GDTrainer ...
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#!/usr/bin/env python # third party modules import torch import torch.nn as nn import torch.nn.functional as F from torch_geometric.nn.aggr import MultiAggregation # pnabind modules from pnabind.nn.layers import SAModule, FPModule, ContinuousCRF from pnabind.nn.utils import MLP # Edge features dimensionality EDGE_DIM...
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import json from abc import ABC from itertools import islice from pathlib import Path from typing import Tuple, List from protocol import DicomImagingSequence from pydicom import dcmread from pydicom.errors import InvalidDicomError from MRdataset import logger from MRdataset.base import BaseDataset from MRdataset.con...
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import pandas as pd import numpy as np import sklearn from sklearn.model_selection import GridSearchCV from sklearn.model_selection import PredefinedSplit from sklearn.tree import DecisionTreeClassifier from sklearn.svm import LinearSVC, SVC from sklearn.ensemble import RandomForestClassifier from sklearn.linear_model ...
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########################### # Latent ODEs for Irregularly-Sampled Time Series # Author: Yulia Rubanova ########################### import numpy as np import torch import torch.nn as nn from torch.nn.functional import relu import lib.utils as utils from lib.utils import get_device from lib.encoder_decoder import * fro...
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# -*- coding: latin-1 -*- "HTML Renderer for FPDF.py" __author__ = "Mariano Reingart <reingart@gmail.com>" __copyright__ = "Copyright (C) 2010 Mariano Reingart" __license__ = "LGPL 3.0" # Inspired by tuto5.py and several examples from fpdf.org, html2fpdf, etc. from .fpdf import FPDF from .py3k import PY3K, basestri...
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"plotting the order preservation plots" import pyrootutils root = pyrootutils.setup_root(search_from=__file__, pythonpath=True) import numpy as np import src.pipeline as pl import src.eval_utils as eval_utils import src.plotting as plot import src.utils as utils def sample_spherical(npoints, ndim=3): vec = np....
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##Copyright 2009-2014 Jelle Ferina (jelleferinga@gmail.com) ## ##This file is part of pythonOCC. ## ##pythonOCC is free software: you can redistribute it and/or modify ##it under the terms of the GNU Lesser General Public License as published by ##the Free Software Foundation, either version 3 of the License, or ##(at ...
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from optimization.EPIOptimize import EPIOptimize from optimization.ADMM import ADMM import torch import time from EPI_MRI.utils import save_data, m_plus import matplotlib.pyplot as plt class LCurve(EPIOptimize): """ EPI-MRI Distortion Correction, choosing alpha parameter with LCurve. Attributes -----...
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from typing import Tuple from KineticAssembly_AD import ReactionNetwork from KineticAssembly_AD import reaction_network as RN from KineticAssembly_AD import VectorizedRxnNet import networkx as nx import torch from torch import DoubleTensor as Tensor from torch import rand from torch import nn class VectorizedRxnN...
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# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved. # # NVIDIA CORPORATION and its licensors retain all intellectual property # and proprietary rights in and to this software, related documentation # and any modifications thereto. Any use, reproduction, disclosure or # distribution of this sof...
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Python
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""" Module with mostly code for quickly using the SAM model at inference time. """ import os import time import json import pathlib import shutil import subprocess import numpy as np try: import yaml has_yaml = True except ImportError: has_yaml = False import torch from sam.nn.autoencoder.decoder import ge...
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#!/usr/bin/env python import pysam import argparse, sys import math, time, re from collections import Counter from argparse import RawTextHelpFormatter __author__ = "Colby Chiang (cc2qe@virginia.edu)" __version__ = "$Revision: 0.0.1 $" __date__ = "$Date: 2015-09-28 11:31 $" # -------------------------------------- #...
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import argparse import logging import os import random import shutil import sys import time import numpy as np import torch import torch.backends.cudnn as cudnn import torch.nn as nn import torch.nn.functional as F import torch.optim as optim from tensorboardX import SummaryWriter from torch.nn import B...
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Python
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import os from time import time from copy import deepcopy import gc import json import numpy as np import matplotlib.pyplot as plt import pandas as pd import matplotlib.gridspec as gridspec from natsort import natsorted from utils.read_mda import readmda plt.rcParams["font.weight"] = "bold" plt.rcParams["axes.labelw...
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""" Defines a class to compute Suggested Selections, or clusters that exhibit consistent or noteworthy changes from one frame to another. """ import numpy as np from sklearn.cluster import AgglomerativeClustering from .utils import Field, inverse_intersection, standardize_json from numba.typed import List from scipy.s...
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######################################################################## # Well-mixed chemical reactions. # AIMS: to verify STEPS well-mixed deterministic solver 'wmrk4' computes # reaction rates correctly when many different chemical species and # reactions are present in the model. # This model combines all we...
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"""Module for RBF interpolation - """ import warnings from itertools import combinations_with_replacement import numpy as np from numpy.linalg import LinAlgError from scipy.spatial import KDTree from scipy.special import comb from scipy.spatial import Delaunay, ConvexHull from scipy.linalg.lapack import dgesv # type:...
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import mxnet as mx from nowcasting.ops import * from nowcasting.operators.common import identity, grid_generator, group_add from nowcasting.operators.base_rnn import MyBaseRNNCell import numpy as np class BaseConvRNN(MyBaseRNNCell): def __init__(self, num_filter, b_h_w, h2h_kernel=(3, 3), h2h_di...
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import torch from torch import Tensor from torch import nn import torch.nn.functional as F class E_GCL(nn.Module): """Graph Neural Net with global state and fixed number of nodes per graph. Args: hidden_dim: Number of hidden units. num_nodes: Maximum number of nodes (for self-attentive poo...
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######################################################################## # Well-mixed chemical reactions. # AIMS: to verify STEPS well-mixed deterministic solver 'wmrk4' computes # reaction rates correctly when many different chemical species and # reactions are present in the model. # This model combines all we...
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########################################### # IMPORTS ########################################### from simtk import unit, openmm from nose.tools import nottest from unittest import skipIf from perses.app.setup_relative_calculation import * from perses.annihilation.relative import HybridTopologyFactory from perses.app.r...
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from torch import nn import torch import math class GCL(nn.Module): def __init__(self, input_nf, output_nf, hidden_nf, normalization_factor, aggregation_method, edges_in_d=0, nodes_att_dim=0, act_fn=nn.SiLU(), attention=False): super(GCL, self).__init__() input_edge = input_nf * 2...