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import numpy as np import argparse import os import imp import re from mimic3models.phenotyping import utils from mimic3benchmark.readers import PhenotypingReader from mimic3models.preprocessing import Discretizer, Normalizer from mimic3models import metrics from mimic3models import keras_utils from mimic3models impo...
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from typing import Union, Iterable import numpy as np import torch import torch.nn.functional as F from rdkit import Chem import networkx as nx from networkx.algorithms import isomorphism from Bio.PDB.Polypeptide import is_aa class Queue(): def __init__(self, max_len=50): self.items = [] self.max...
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"""Utilities for JSON.""" from __future__ import annotations import json import re from typing import TYPE_CHECKING, Any from langchain_core.exceptions import OutputParserException if TYPE_CHECKING: from collections.abc import Callable def _replace_new_line(match: re.Match[str]) -> str: """Replace newline...
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""" In this file the sectionalizing and tie switch details are specified. The DER details are also specified (in particular the ones with and without grid forming capability). Also the path for the DSS file containing the circuit information is specified. The final DSS circuit which will be used by the environment is...
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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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"""`Runnable` that routes to a set of `Runnable` objects.""" from __future__ import annotations from collections.abc import Mapping from typing import ( TYPE_CHECKING, Any, cast, ) from pydantic import ConfigDict from typing_extensions import TypedDict, override from langchain_core.runnables.base import...
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import numpy as np import argparse import os import imp import re from mimic3models.in_hospital_mortality import utils from mimic3benchmark.readers import InHospitalMortalityReader from mimic3models.preprocessing import Discretizer, Normalizer from mimic3models import metrics from mimic3models import keras_utils from...
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#!/usr/bin/env """ # Author: Kai Cao # Modified from SCALEX """ import numpy as np import torch from torch import nn as nn from torch.distributions import Normal __all__ = ['activation', 'DSBatchNorm', 'Block', 'NN', 'Encoder', 'Decoder'] activation = { 'relu':nn.ReLU(), 'rrelu':nn.RReLU(), 'sigmoid':...
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"""Parse the YAML configuration.""" import logging import shutil import warnings from pathlib import Path from typing import Callable, Dict, Optional, Tuple, Union import yaml from . import utils logger = logging.getLogger("casanovo") # FIXME: This contains deprecated config options to be removed in the next # m...
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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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#%% Train XgBoost import numpy as np from xgboost import XGBClassifier import pickle import os #from sklearn.metrics import auc, accuracy_score, confusion_matrix, mean_squared_error from sklearn.model_selection import cross_val_score,KFold, RandomizedSearchCV, train_test_split from sklearn.metrics import accuracy_score...
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######################################################################## # 2D diffusion on an infinite surface from point source. # AIMS: to verify STEPS spatial-stochastic solver 'Tetexact' supports # local initial conditions and calculates surface diffusion rates correctly. # STEPS equivalent model: Stochastic 2...
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import numpy as np import pandas as pd from sklearn.gaussian_process.kernels import RBF, Kernel from ._base import _CITestResult from .hsic import HSIC, _gamma_pvalue_from_moments class KCI(HSIC): r""" Test whether two continuous variables are independent given a set of other variables. KCI can detect b...
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""" Author: Benny Date: Nov 2019 """ import argparse import os from data_utils.ShapeNetDataLoader import PartNormalDataset import torch import logging import sys import importlib from tqdm import tqdm import numpy as np BASE_DIR = os.path.dirname(os.path.abspath(__file__)) ROOT_DIR = BASE_DIR sys.path.append(os.path.j...
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import sys sys.path.append(".") import os import argparse import io import tarfile import multiprocessing as mp from tqdm import tqdm from contextlib import nullcontext import torch from mat2seq import CIFTokenizer from mat2seq import ( GPT, GPTConfig, ) from crystallm import array_split # Set the visible CU...
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""" In this file the sectionalizing and tie switch details are specified. The DER details are also specified (in particular the ones with and without grid forming capability). Also the path for the DSS file containing the circuit information is specified. The final DSS circuit which will be used by the environment is...
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"""Single-cell adapters for BERNN. The functions in this module keep the core BERNN trainer matrix-based while providing a thin AnnData-facing API suitable for scRNA-seq benchmarks. """ from __future__ import annotations from typing import Any, Optional import numpy as np import pandas as pd import torch from scipy...
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import math import torch import torch.nn as nn import torch.nn.functional as F from collections import OrderedDict class _DenseLayer(nn.Sequential): def __init__(self, num_input_features, growth_rate, bn_size, drop_rate): super().__init__() self.add_module('norm1', nn.BatchNorm3d(num_input_featur...
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######################################################################## # 1D diffusion in a finite tube with fully-reflective boundary. # Circular "point source" from one face. # AIMS: to verify STEPS spatial-deterministic solver 'TetODE' supports # local initial condition on boundary, calculates volume diffusion ...
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from funlib.learn.torch.models import Vgg3D from synister.read_config import \ read_worker_config, \ read_predict_config, \ read_train_config from synister.synister_db import SynisterDb from synister.utils import init_vgg, predict, get_raw import json import logging import multiprocessing import numpy as np...
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import os import numpy as np import xarray as xr import pandas as pd import argparse from frites.io import logger, set_log_level from frites.config import CONFIG from frites.workflow import WfMi, WfMiCombine, WfStats from frites.dataset import DatasetEphy from pathta import Study from research.study.pblt import (ge...
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# Copyright (c) Meta Platforms, Inc. and affiliates. # All rights reserved. # This source code is licensed under the license found in the # LICENSE file in the root directory of this source tree. # model settings model = dict( type='CascadeRCNN', pretrained=None, backbone=dict( type='ConvNeXt', ...
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import os # this stops jax from stealing all the memory os.environ["XLA_PYTHON_CLIENT_PREALLOCATE"]="false" import jax import jax.numpy as jnp import jax.random as jrng import jax.tree_util as jtu import tensorflow as tf import tensorflow_datasets as tfds import optax import seaborn as sns import hydra from omegaconf...
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######################################################################## # 1D diffusion in a finite tube with fully-reflective boundary. # Circular "point source" from one face. # AIMS: to verify STEPS spatial-deterministic solver 'TetODE' supports # local initial condition on boundary, calculates volume diffusion ...
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from __future__ import annotations from pathlib import Path from typing import Dict, Union import matplotlib.pyplot as plt import numpy as np import pandas as pd from libs.eval.expresult import ExpResult class Visualizer: def __init__(self) -> None: self.fsize = 16 self.plt_label = [ ...
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#################################################################################### # # STEPS - STochastic Engine for Pathway Simulation # Copyright (C) 2007-2026 Okinawa Institute of Science and Technology, Japan. # Copyright (C) 2003-2006 University of Antwerp, Belgium. # # See the file AUTHORS for detai...
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import pandas as pd from skbase.base import BaseObject from skbase.lookup import all_objects class BaseSupervisedMetric(BaseObject): """ Base class for all metric classes in pgmpy that require ground truth causal graph. Every supervised metric sets all of the tags listed by ``pgmpy.registry.all_tags("sup...
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import torch import numpy as np import matplotlib.pyplot as plt import joblib from data import generate_recog_data from net_utils import load_from_file class BogaczAntiHebb(): """As described in Bogacz and Brown 2003.""" def __init__(self, init, eta=.5): """init is either an integer (number of novelty...
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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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# -*- coding: utf-8 -*- # :noTabs=true: import os, sys, time, collections, math import stat as stat_module try: from .base import * except ImportError: # workaround for B2 back-end's import imp imp.load_source(__name__, '/'.join(__file__.split('/')[:-1]) + '/base.py') # A bit of Python magic here, what...
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#!/usr/bin/env python3 # -*- coding: utf-8 -*- import argparse from dipy.core.gradients import gradient_table from dipy.io.gradients import read_bvals_bvecs import dipy.reconst.dti as dti import nibabel as nib import numpy as np import pylab as pl # from scilpy.utils.bvec_bval_tools import (normalize_bvecs, is_normali...
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import argparse from pathlib import Path from datetime import datetime import logging import pickle import quantities as pq import neo from neo.utils import get_events, cut_segment_by_epoch, add_epoch from elephant.signal_processing import butter from elephant.spectral import welch_psd import numpy as np from numpy...
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""" Samplers for perses automated molecular design. TODO: * Refactor tests into a test class so that AlanineDipeptideSAMS test system only needs to be constructed once for a battery of tests. * Generalize tests of samplers to iterate over all PersesTestSystem subclasses """ __author__ = 'John D. Chodera' ##########...
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import os import sys import re import types import itertools import matplotlib.pyplot as plt import numpy import scipy.stats import numpy.ma import Stats import Histogram from cgatReport.Tracker import * from cpgReport import * ########################################################################## class Externa...
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import torch def linear_interpolate( values: torch.Tensor, times: torch.Tensor, target_times: torch.Tensor, dim: int, ) -> torch.Tensor: """ values : (T, d) float32/float64 times : (T,) same dtype, strictly increasing target_times : (S,) same dtype, each in [tim...
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#################################################################################### # # STEPS - STochastic Engine for Pathway Simulation # Copyright (C) 2007-2023 Okinawa Institute of Science and Technology, Japan. # Copyright (C) 2003-2006 University of Antwerp, Belgium. # # See the file AUTHORS for d...
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# # import networkx as nx import numpy as np import torch import scipy.sparse as sp from sklearn.neighbors import kneighbors_graph ##### generate n def generate_adj_mat(adata, include_self=False, n=6): from sklearn import metrics assert 'spatial' in adata.obsm, 'AnnData object should provided spa...
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# Copyright (c) Microsoft Corporation. # Licensed under the MIT license. from typing import List import torch # import torch.utils.data.datapipes.datapipe as dp from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader from .registry import DATAPIPE_REGISTRY from .utils import PDEDataC...
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# Copyright 2024 DeepMind Technologies Limited # # AlphaFold 3 source code is 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...
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# todo: # add compatibility for SingleImage frames import os.path from datetime import datetime from dateutil import tz import numpy as np from imagingplus.utils.images import ImportTiff from imagingplus.main.subcore import TemporalData from imagingplus.main.core import ImagingTrial from pynwb.file import Subject...
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""" Module to generate supplementary figure analysing stimulation at different locations Author: jonas.braun@epfl.ch """ import os import numpy as np import pandas as pd import matplotlib.pyplot as plt from scipy.ndimage import gaussian_filter1d from scipy.ndimage import center_of_mass import pickle import cv2 from tw...
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# Utils for computing properties for one molecule import torch import scipy.constants as sc import numpy as np def S_prod(x, y, mat_S): """ x: B, T, nbands, norbs y: B, T, nbands, norbs mat_S: B, norbs, norbs return: B, T, nbands """ # prod = x[:, :, :, None, :] @ (mat_S[:, None, None, :, ...
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import torch from torch.utils.data import Dataset import numpy as np import re import json class Mol3DDataset(Dataset): def __init__(self, texts, tokenizer, max_len, conditions=None, conditions_split_id=None): self.texts = texts self.conditions = conditions self.conditions_split_id = condi...
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"""Parsers for list output.""" from __future__ import annotations import csv import re from abc import abstractmethod from collections import deque from io import StringIO from typing import TYPE_CHECKING, TypeVar from typing_extensions import override from langchain_core.messages import BaseMessage from langchain_...
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#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Tue Apr 23 16:36:51 2019 @author: shni2598 """ import numpy as np import numpy.ma as ma from connection import coordination #from scipy.sparse import csc_matrix from scipy.sparse import csr_matrix #from numba import jit #import pdb #nan #isnan def connec...
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######################################################################## # 2D diffusion on an infinite surface from point source. # AIMS: to verify STEPS spatial-stochastic solver 'Tetexact' supports # local initial conditions and calculates surface diffusion rates correctly. # STEPS equivalent model: Stochastic 2...
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import numpy as np import copy from NeuronModel import integrate_and_fire, izhikevich, integrate_and_fire_MSN class synapticClass: parameters = {'save': False} def __init__(self, weightInstance, **kwargs): self.weight = weightInstance self.I_output = [np.zeros(self.weight.neurons_output.P)] ...
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# Copyright (c) Meta Platforms, Inc. and affiliates. # All rights reserved. # This source code is licensed under the license found in the # LICENSE file in the root directory of this source tree. import math from typing import Iterable, Optional import torch from timm.data import Mixup from timm.utils import accura...
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import pickle from pathlib import Path from typing import Union, List from MRdataset import logger from MRdataset.base import BaseDataset from MRdataset.bids import BidsDataset from MRdataset.config import VALID_DATASET_FORMATS from MRdataset.dicom import DicomDataset from MRdataset.utils import random_name, check_mrd...
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import numpy as numx import pydeep.base.numpyextension as npExt from pydeep.base.activationfunction import Sigmoid class BinaryBinaryDBM(object): def __init__(self, input_dim, hidden1_dim, hidden2_dim, offset_typ, data, dtype = numx.float64): ''' Initializes the network :Parameters: ...
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# Import relevant packages from __future__ import print_function import argparse import numpy as np # for simple calculations import os # for saving import sys from rdkit import RDLogger lg = RDLogger.logger() lg.setLevel(4) import rdkit.Chem as Chem from pymongo import M...
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import threading from pycromanager.acquisition.acq_eng_py.main.acq_notification import AcqNotification from types import GeneratorType def _axes_to_key(axes): """ Turn axes into a hashable key """ return None if axes is None else frozenset(axes.items()) class AcquisitionFuture: def __init__(self, acq, ax...
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"""Class for a conversation memory buffer with older messages stored in a vectorstore . This implements a conversation memory in which the messages are stored in a memory buffer up to a specified token limit. When the limit is exceeded, older messages are saved to a `VectorStore` backing database. The `VectorStore` ca...
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""" A helper module to compute HSV colors for each frame in an animated DR plot. The colors are chosen such that the perceptual distance between colors corresponds to the difference between the frames, with respect to some set of points of interest. """ import numpy as np from sklearn.cluster import AgglomerativeCluste...
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import gzip import argparse from collections import deque def add_species_coords(main_args): probes_file = gzip.open(main_args.probes_file, 'rt') maf_seq_file = gzip.open(main_args.maf_seq_file, 'rt') output_file = gzip.open(main_args.output_file, 'wt') isMammal = {"hg19": 1,"panTro4": 1,"gorGor3": 1,...
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""" 2023.08.30 author: femke.hurtak@epfl.ch Script to compute how for a signal can propagate in the network starting from a specific neuron. """ import pandas as pd import matplotlib.pyplot as plt import os from tqdm import tqdm import numpy as np from scipy.stats import bootstrap import neuron_params import plot_par...
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""" The objective of this analysis is to assess the reliability of the results when using a reduced number of sessions, in order to determine a minimum number of sessions to perform in the study. We assess reliability of a scalar measurement in three ways: 1) The correlation across subjects of the measurements obtaine...
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import math from typing import Tuple, Union, Callable import inspect import numpy as np import torch import torch.nn as nn from sam.nn.common import get_act_fn, AF2_PositionalEmbedding from sam.nn.autoencoder.ca_models import AE_IdpGAN_TransformerBlock ##############################################################...
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import pytest from openff.toolkit import ForceField class StaleForceFieldTests: @pytest.mark.skip(reason="Needs to be updated for 0.2.0 syntax") def test_create_forcefield_from_file_list(self): # These offxml files are located in package data path, which is automatically installed and searched ...
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""" ############################################################################## # # Filter the protein-coding set of exons that have valid(long-enough) # regions around 5/3-splice-site. # # AUTHOR: Maciej_Bak # AFFILIATION: University_of_Basel # AFFILIATION: Swiss_Institute_of_Bioinformatics # CONTACT: w...
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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 # # https://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed...
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""" ############################################################################## # # A wrapper for tasks related to extraction of window-wise information: # Given a list of sites in bed format, genome in fasta and an encoded # relative coordinates of windows -> extract absolute window coordinates # and their...
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import argparse import torch.nn as nn import torch.optim as optim import sys sys.path.append("../../") from TCN.char_cnn.utils import * from TCN.char_cnn.model import TCN import time import math import warnings warnings.filterwarnings("ignore") # Suppress the RunTimeWarning on unicode parser = argparse.ArgumentPa...
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'''Splits image filenames (ID's) to use in training, validation and testing sets Notes: (i) ID's are shuffled before splitting (ii) images without corresponding annotation files are dropped Example usage: python create_splits.py \ --images_dir "./data/scales_data_sample/images/"\ --annotations_di...
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# ~ based off code originally written by Adam R. (in the Josselyn Lab ~ 2023) """ !!!! READ FIRST !!!! ~ HOW TO USE THIS SCRIPT As of now, this script can be run with two options. Note that this script is also not tested yet, so there maybe be errors that you should fix and git commit/push please :) Option 1) use fo...
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''' Toy example using FNN on MNIST. :Version: 3.0 :Date 15.07.2014 :Author: Jan Melchior :Contact: pydeep@gmail.com :License: Copyright (C) 2014 Jan Melchior This program is free software: you can redistribut...
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import argparse import warnings from pathlib import Path from time import time import torch from rdkit import Chem from tqdm import tqdm from lightning_modules import LigandPocketDDPM from analysis.molecule_builder import process_molecule import utils MAXITER = 10 MAXNTRIES = 10 if __name__ == "__main__": pars...
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# coding: utf-8 """ MIT License """ ''' Project: Parenchymal Attention Network Authors: Axel Masquelin Description: ''' # Dependencies # ---------------------------------------------------------------------------- # from torch.utils.data import Dataset from sklearn.utils import resample from PIL import Imag...
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# Sconda conda activate TensorFlow_CPU_01 # cd /mnt/BioAdHoc/Groups/RaoLab/Edahi/Projects/09.TimeCourse5hmC/ForFerhatGit/FCDNN/results/fcdnn_most_variable_genes; python import numpy as np import pandas as pd import matplotlib.pyplot as plt import seaborn as sns from sklearn.metrics import roc_curve, auc from scipy.sta...
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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 matplotlib from matplotlib import pyplot as plt from matplotlib.lines import Line2D import cv2 import numpy as np import torch from torchvision.transforms import Compose, Normalize, ToTensor from typing import List, Dict import math from scipy.ndimage import zoom def preprocess_image( img: np.ndarray, mean...
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import argparse from multiprocessing import Value import numpy as np import pandas as pd from joblib import Parallel, delayed import mne from mne_bids import BIDSPath import coffeine from mne_features.feature_extraction import extract_features from mne.minimum_norm import apply_inverse_cov import h5io from utils imp...
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# coding: utf-8 """ MIT License """ ''' Project: Parenchymal Attention Network Authors: Axel Masquelin Description: Secondary Analysis showing the distribution of performance across all runs ''' # Libraries # ---------------------------------------------------------------------------- # from sklearn.metrics...
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""" Samplers for perses automated molecular design. TODO: * Refactor tests into a test class so that AlanineDipeptideSAMS test system only needs to be constructed once for a battery of tests. * Generalize tests of samplers to iterate over all PersesTestSystem subclasses """ __author__ = 'John D. Chodera' ##########...
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"""Tests for handle_event and _ahandle_event_for_handler fallback behavior. Covers the NotImplementedError fallback from on_chat_model_start to on_llm_start. Handlers must declare `serialized` and `messages` as explicit positional args (not *args) — see on_chat_model_start docstring for details. See: https://github.c...
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"""Load question answering with sources chains.""" from __future__ import annotations from collections.abc import Mapping from typing import Any, Protocol from langchain_core._api import deprecated from langchain_core.language_models import BaseLanguageModel from langchain_core.prompts import BasePromptTemplate fro...
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# Copyright (c) Meta Platforms, Inc. and affiliates. # All rights reserved. # This source code is licensed under the license found in the # LICENSE file in the root directory of this source tree. import torch from torch import optim as optim from timm.optim.adafactor import Adafactor from timm.optim.adahessian imp...
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Python
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import gym import random from gym import spaces import numpy as np import logging from random import sample, choices, uniform, randint from math import ceil from DSS_Initialize import * from state_action_reward import * from gym.utils import seeding logging.basicConfig(format='%(asctime)s %(levelname)s: %(message)s', ...
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Python
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import os import sys import re import types import itertools import matplotlib.pyplot as plt import numpy import scipy.stats import numpy.ma import Stats import Histogram from cgatReport.Tracker import * from cpgReport import * ########################################################################## class Interva...
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import logging import numpy as np from openmmtools.integrators import PeriodicNonequilibriumIntegrator from openmmtools.utils import get_fastest_platform from pkg_resources import resource_filename from simtk import unit from simtk import openmm import os import pathlib import time from perses.app.relative_point_mutati...
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Python
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# Functions for calibration of results from __future__ import division, print_function import sklearn.metrics as metrics import numpy as np import pickle import keras def evaluate_model(model, weights_file, x_test, y_test, bins = 15, verbose = True, pickle_file = None, x_val = None, y_val = None): """ Eva...
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""" :AUTHOR: Jonas Scherer :ORGANIZATION: Department of Neurobiology and Department of Cognitive Neuroscience, Bielefeld University, Germany :CONTACT: jonas.scherer@uni-bielefeld.de :SINCE: Tue Dec 13 17:57:00 2022 :VERSION: 0.1 This module contains helper functions for plotting figures. """ import pandas as pd import...
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######################################################################## # 2D diffusion on an infinite strip from line "point source". # AIMS: to verify STEPS spatial-stochastic solver 'Tetexact' supports # local initial conditions and calculates surface diffusion rates correctly. # STEPS equivalent model: Stochas...
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# -------------------------------------------------------- # Swin Transformer # Copyright (c) 2021 Microsoft # Licensed under The MIT License [see LICENSE for details] # Written by Ze Liu # --------------------------------------------------------' import os import yaml from yacs.config import CfgNode as CN _C = CN() ...
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from sklearn.svm import SVC from sklearn.metrics import accuracy_score from sklearn.model_selection import StratifiedKFold import numpy as np import torch import torch.nn as nn import torch.optim as optim from torch.utils.data import DataLoader, TensorDataset import os from sklearn.metrics import confusion_mat...
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import os import pickle import argparse import numpy as np #from sklearn import preprocessing #from sklearn.metrics import confusion_matrix #from sklearn.metrics import accuracy_score #from sklearn.ensemble import RandomForestClassifier # #import scipy.ndimage #import skimage.restoration import img3 SCALER = "classi...
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import math import logging from tqdm import tqdm import numpy as np import copy import torch import torch.optim as optim from torch.optim.lr_scheduler import LambdaLR from torch.utils.data.dataloader import DataLoader from torch.cuda.amp import GradScaler import re import pandas as pd from rdkit import Chem logger = l...
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Python
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# /// script # requires-python = ">=3.12" # dependencies = ["iohub", "napari[pyqt6]", "numpy", "pyyaml", "waveorder[all]"] # /// """Sweep one or two config parameters, reconstruct each value, and view results. Writes one config per value (or per value pair) into an output folder, runs ``wo rec`` for each, then opens t...
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"""Use GTR to model distribution of future viral sequences """ import numpy as np from easyDesign import alignment from easyDesign.utils import predict_activity from scipy.linalg import expm class GTRSubstitutionMutator: """Use the GTR Substitution model to mutate viral sequences """ def __init__(self, a...
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import math import torch.nn as nn from torch.nn.modules.dropout import Dropout from torch.nn.modules.linear import Linear from torch.nn.modules.normalization import LayerNorm from torch.nn import functional as F from torch import Tensor from core.network.model import model_register from core.network.model.encoder.gra...
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# Copyright (c) DP Technology. # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. from __future__ import absolute_import, division, print_function import os import torch import torch.nn as nn from torch.nn import functional as F import joblib f...
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Python
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import Bio.SeqIO as sio import tensorflow as tf import numpy as np from sklearn.preprocessing import LabelBinarizer from tensorflow.keras.utils import to_categorical import random import os os.environ['CUDA_VISIBLE_DEVICES'] = '0' import tqdm #load model filterm = tf.keras.models.load_model(os.path.join(os.path.dirnam...
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Python
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import torch from torch_scatter import scatter_sum from e3nn import o3 from .blocks import ( EdgeBoosterBlock, AtomicBaseUpdateBlock, PolynomialManyBodyBlock, NonLinearReadoutBlock, AtomicScaleShiftBlock ) from .utils import get_edge_vectors_and_lengths, compute_forces from .embs import ( MLP,...
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Python
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from argparse import ArgumentParser import pandas as pd import numpy as np from typing import List, Tuple from sklearn.model_selection import StratifiedKFold, train_test_split replace_dict = {'NV':0, 'MEL':1, 'SCC':2, 'BKL':3, 'BCC':4, 'AK':5, 'DF':6, 'VASC':7} def get_states(random_state, low, high, size): rs = ...
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Python
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import pytest import torch from e3nn import o3 from e3nn.util.test import assert_equivariant from nequip.utils import torch_default_dtype, dtype_from_name from allegro.nn._strided import Contracter @pytest.mark.parametrize("irreps_in1", ["0e + 0o + 1e + 1o", "2o + 1e + 0e"]) @pytest.mark.parametrize("irreps_in2", [...
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Python
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from typing import Tuple, Union, Callable import torch import torch.nn as nn import torch.nn.functional as F ################################################################################ # Common functions for all neural networks. # ##############################################...
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# -*- coding: utf-8 -*- # :noTabs=true: import time as time_module import codecs import signal import os, sys try: from .base import * except ImportError: # workaround for B2 back-end's import imp imp.load_source(__name__, '/'.join(__file__.split('/')[:-1]) + '/base.py') # A bit of Python magic here, w...
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# Copyright 2024 DeepMind Technologies Limited # # AlphaFold 3 source code is 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...
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Python
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from sklearn.svm import SVC from sklearn.metrics import accuracy_score from sklearn.model_selection import StratifiedKFold import numpy as np import torch import torch.nn as nn import torch.optim as optim from torch.utils.data import DataLoader, TensorDataset import os from sklearn.metrics import confusion_mat...
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Python
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from typing import Final """ How to add new feature? 1. Add new key to this file. 2. Add new key to _const.py 2.1. if the type of input is consistent, write adequate condition and default to _const.py. 2.2. if the type of input is not consistent, you must add your own input validation code to parse_input....