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IGEV
IGEV-main/IGEV-MVS/datasets/tanks.py
from torch.utils.data import Dataset from datasets.data_io import * import os import numpy as np import cv2 from PIL import Image class MVSDataset(Dataset): def __init__(self, datapath, n_views=7, img_wh=(1920, 1024), split='intermediate'): self.levels = 4 self.datapath = datapath self.img_...
5,974
37.057325
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py
IGEV
IGEV-main/IGEV-MVS/datasets/blendedmvs.py
from torch.utils.data import Dataset from datasets.data_io import * import os import numpy as np import cv2 from PIL import Image from torchvision import transforms as T import random class MVSDataset(Dataset): def __init__(self, datapath, listfile, split, nviews, img_wh=(768, 576), robust_train=True): ...
8,489
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py
IGEV
IGEV-main/IGEV-MVS/datasets/dtu_yao.py
from torch.utils.data import Dataset import numpy as np import os from PIL import Image from datasets.data_io import * import cv2 import random from torchvision import transforms class MVSDataset(Dataset): def __init__(self, datapath, listfile, mode, nviews, robust_train = False): super(MVSDataset, self)....
8,874
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py
IGEV
IGEV-main/IGEV-Stereo/evaluate_stereo.py
from __future__ import print_function, division import sys sys.path.append('core') import os # os.environ['CUDA_VISIBLE_DEVICES'] = '0' import argparse import time import logging import numpy as np import torch from tqdm import tqdm from igev_stereo import IGEVStereo, autocast import stereo_datasets as datasets from ...
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py
IGEV
IGEV-main/IGEV-Stereo/demo_imgs.py
import sys sys.path.append('core') DEVICE = 'cuda' import os os.environ['CUDA_VISIBLE_DEVICES'] = '0' import argparse import glob import numpy as np import torch from tqdm import tqdm from pathlib import Path from igev_stereo import IGEVStereo from utils.utils import InputPadder from PIL import Image from matplotlib im...
4,564
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py
IGEV
IGEV-main/IGEV-Stereo/save_disp.py
import sys sys.path.append('core') import argparse import glob import numpy as np import torch from tqdm import tqdm from pathlib import Path from igev_stereo import IGEVStereo from utils.utils import InputPadder from PIL import Image from matplotlib import pyplot as plt import os import skimage.io import cv2 DEVICE...
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IGEV
IGEV-main/IGEV-Stereo/demo_video.py
import sys sys.path.append('core') import cv2 import numpy as np import glob from pathlib import Path from tqdm import tqdm import torch from PIL import Image from igev_stereo import IGEVStereo import os import argparse from utils.utils import InputPadder torch.backends.cudnn.benchmark = True half_precision = True DE...
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IGEV
IGEV-main/IGEV-Stereo/train_stereo.py
from __future__ import print_function, division import os os.environ['CUDA_VISIBLE_DEVICES'] = '0, 1' import argparse import logging import numpy as np from pathlib import Path from tqdm import tqdm from torch.utils.tensorboard import SummaryWriter import torch import torch.nn as nn import torch.optim as optim from cor...
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IGEV
IGEV-main/IGEV-Stereo/core/stereo_datasets.py
import numpy as np import torch import torch.utils.data as data import torch.nn.functional as F import logging import os import re import copy import math import random from pathlib import Path from glob import glob import os.path as osp from core.utils import frame_utils from core.utils.augmentor import FlowAugmentor...
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py
IGEV
IGEV-main/IGEV-Stereo/core/update.py
import torch import torch.nn as nn import torch.nn.functional as F from opt_einsum import contract class FlowHead(nn.Module): def __init__(self, input_dim=128, hidden_dim=256, output_dim=2): super(FlowHead, self).__init__() self.conv1 = nn.Conv2d(input_dim, hidden_dim, 3, padding=1) self.co...
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IGEV
IGEV-main/IGEV-Stereo/core/submodule.py
import torch import torch.nn as nn import torch.nn.functional as F import numpy as np class BasicConv(nn.Module): def __init__(self, in_channels, out_channels, deconv=False, is_3d=False, bn=True, relu=True, **kwargs): super(BasicConv, self).__init__() self.relu = relu self.use_bn = bn ...
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IGEV
IGEV-main/IGEV-Stereo/core/extractor.py
import torch import torch.nn as nn import torch.nn.functional as F from core.submodule import * import timm class ResidualBlock(nn.Module): def __init__(self, in_planes, planes, norm_fn='group', stride=1): super(ResidualBlock, self).__init__() self.conv1 = nn.Conv2d(in_planes, planes, kernel_...
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IGEV
IGEV-main/IGEV-Stereo/core/geometry.py
import torch import torch.nn.functional as F from core.utils.utils import bilinear_sampler class Combined_Geo_Encoding_Volume: def __init__(self, init_fmap1, init_fmap2, geo_volume, num_levels=2, radius=4): self.num_levels = num_levels self.radius = radius self.geo_volume_pyramid = [] ...
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IGEV
IGEV-main/IGEV-Stereo/core/igev_stereo.py
import torch import torch.nn as nn import torch.nn.functional as F from core.update import BasicMultiUpdateBlock from core.extractor import MultiBasicEncoder, Feature from core.geometry import Combined_Geo_Encoding_Volume from core.submodule import * import time try: autocast = torch.cuda.amp.autocast except: ...
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IGEV
IGEV-main/IGEV-Stereo/core/utils/utils.py
import torch import torch.nn.functional as F import numpy as np from scipy import interpolate class InputPadder: """ Pads images such that dimensions are divisible by 8 """ def __init__(self, dims, mode='sintel', divis_by=8): self.ht, self.wd = dims[-2:] pad_ht = (((self.ht // divis_by) + 1) *...
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IGEV
IGEV-main/IGEV-Stereo/core/utils/augmentor.py
import numpy as np import random import warnings import os import time from glob import glob from skimage import color, io from PIL import Image import cv2 cv2.setNumThreads(0) cv2.ocl.setUseOpenCL(False) import torch from torchvision.transforms import ColorJitter, functional, Compose import torch.nn.functional as F ...
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rl-mapping
rl-mapping-master/main.py
import argparse import os import random from envs import MappingEnvironment, LocalISM, RangeISM from model import CNNActorCritic, MLPActorCritic, ResNetActorCritic, LinearActorCritic from distributions import Multinomial import torch from torch import nn from torch.autograd import Variable import numpy as np parser...
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rl-mapping
rl-mapping-master/distributions.py
r""" The ``distributions`` package contains parameterizable probability distributions and sampling functions. Policy gradient methods can be implemented using the :meth:`~torch.distributions.Distribution.log_prob` method, when the probability density function is differentiable with respect to its parameters. A basic m...
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rl-mapping
rl-mapping-master/model.py
import torch import torch.nn as nn import torch.nn.functional as F from torch.autograd import Variable from math import floor import IPython as ipy class LinearActorCritic(nn.Module): def __init__(self, H_in=100, nc=2, na=4): super(LinearActorCritic, self).__init__() self.H_in = H_in self....
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vexcl
vexcl-master/docs/conf.py
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # # VexCL documentation build configuration file, created by # sphinx-quickstart on Fri Mar 11 13:53:31 2016. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # auto...
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MGMN
MGMN-main/src/ged_train.py
#!/usr/bin/env python # -*- coding: utf-8 -*- # ************************************ # @Time : 2019/3/3 22:34 # @Author : Xiang Ling # @Lab : nesa.zju.edu.cn # @File : ged_train.py # ************************************ import numpy as np import os import torch import torch.nn.functional as functional fr...
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MGMN
MGMN-main/src/cfg_train.py
#!/usr/bin/env python # -*- coding: utf-8 -*- # ************************************ # @Time : 2019/7/3 22:34 # @Author : Xiang Ling # @Lab : nesa.zju.edu.cn # @File : cfg_train.py # ************************************ import numpy as np import os import torch from datetime import datetime from sklearn...
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MGMN
MGMN-main/src/model/DenseGraphMatching.py
#!/usr/bin/env python # -*- coding: utf-8 -*- # ************************************ # @Time : 2019/3/4 17:16 # @Author : Xiang Ling # @Lab : nesa.zju.edu.cn # @File : DenseGraphMatching.py # ************************************ import torch import torch.nn as nn import torch.nn.functional as functional...
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MGMN
MGMN-main/src/model/DenseGGNN.py
#!/usr/bin/env python # -*- coding: utf-8 -*- # ************************************ # @Time : 2019/3/3 17:16 # @Author : Xiang Ling # @Lab : nesa.zju.edu.cn # @File : DenseGGNN.py # ************************************ import torch import torch.nn as nn from torch_geometric.nn.conv.gated_graph_conv im...
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papa
papa-main/transformers/src/transformers/papa_modules.py
import torch from torch import nn import json import os from .modeling_utils import ModuleUtilsMixin import numpy as np from .activations import ACT2FN class FreezeExtractPoller(nn.Module): def __init__(self, config): super().__init__() self.dense_across_layers = nn.Linear((config.num_hidden_layers...
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papa
papa-main/transformers/src/transformers/modeling_utils.py
# coding=utf-8 # Copyright 2018 The Google AI Language Team Authors, Facebook AI Research authors and The HuggingFace Inc. team. # Copyright (c) 2018, NVIDIA CORPORATION. All rights reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the L...
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papa
papa-main/transformers/src/transformers/models/deberta/modeling_deberta.py
# coding=utf-8 # Copyright 2020 Microsoft and the Hugging Face Inc. team. # # 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 require...
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papa
papa-main/transformers/src/transformers/models/roberta/modeling_roberta.py
# coding=utf-8 # Copyright 2018 The Google AI Language Team Authors and The HuggingFace Inc. team. # Copyright (c) 2018, NVIDIA CORPORATION. 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 cop...
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papa
papa-main/transformers/src/transformers/models/bert/modeling_bert.py
# coding=utf-8 # Copyright 2018 The Google AI Language Team Authors and The HuggingFace Inc. team. # Copyright (c) 2018, NVIDIA CORPORATION. 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 cop...
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papa
papa-main/transformers/papa_scripts/run_papa_ner_avgs_creator.py
#!/usr/bin/env python # coding=utf-8 # Copyright 2021 The HuggingFace Inc. team. 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.org/licenses/LI...
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papa
papa-main/transformers/papa_scripts/run_papa_ner.py
#!/usr/bin/env python # coding=utf-8 # Copyright 2020 The HuggingFace Team 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.org/licenses/LICENSE-...
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papa
papa-main/transformers/papa_scripts/run_papa_glue_avgs_creator.py
# coding=utf-8 # Copyright 2021 The HuggingFace Inc. team. 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.org/licenses/LICENSE-2.0 # # Unless r...
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papa
papa-main/transformers/papa_scripts/run_papa_glue.py
#!/usr/bin/env python # coding=utf-8 # Copyright 2020 The HuggingFace Inc. team. 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.org/licenses/LI...
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py
revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/inference.py
import logging import torch from torch.utils.data import DataLoader from tqdm import tqdm from modelling.datasets import DataConfig, collaters_factory, datasets_factory from modelling.configs import model_configs_factory from modelling.models import models_factory from utils.evaluation import evaluators_factory from ...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/dump_perframe_features.py
import argparse import io import json import logging import h5py import numpy as np import torch from natsort import natsorted from PIL import Image from torch import nn from torchvision import resnet152, transforms class FrameEncoder(nn.Module): def __init__(self): super(FrameEncoder, self).__init__() ...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/dump_perbox_features.py
import argparse import io import json import logging from typing import List import h5py import numpy as np import torch from natsort import natsorted from PIL import Image from torch import nn from torchvision import transforms from torchvision.models.detection import fasterrcnn_resnet50_fpn from torchvision.models.d...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/train.py
import logging import os import torch from torch import optim from torch.utils.data import DataLoader from tqdm import tqdm from modelling.datasets import collaters_factory, datasets_factory from modelling.configs import model_configs_factory, DataConfig from modelling.models import models_factory from utils.evaluati...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/utils/model_utils.py
import torch def generate_square_subsequent_mask(sz: int) -> torch.Tensor: # https://pytorch.org/docs/stable/_modules/torch/nn/modules/transformer.html#Transformer.generate_square_subsequent_mask mask = ~(torch.triu(torch.ones(sz, sz)) == 1).transpose(0, 1) return mask
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/utils/data_utils.py
from typing import List, Tuple import ffmpeg import numpy as np import torch from PIL import Image from torchvision.transforms import ColorJitter, RandomCrop from torchvision.transforms import functional as TF def load_video(in_filepath: str): """Loads a video from a filepath.""" probe = ffmpeg.probe(in_file...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/utils/train_inference_utils.py
import logging from typing import Dict import torch from torch import nn, optim def get_device(logger: logging.Logger): device = torch.device("cpu") if torch.cuda.is_available(): device = torch.device("cuda") for i in range(torch.cuda.device_count()): logger.warning(f"{torch.cuda....
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/utils/evaluation.py
import numpy as np from typing import Tuple class EvaluatorSomething: def __init__( self, total_instances: int, total_classes: int, logit_names: Tuple[str] ): self.total_instances = total_instances self.total_classes = total_classes self.logit_names = logit_names self.r...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/modelling/datasets.py
import io import json import math import re import h5py import numpy as np import torch from PIL import Image from torch.utils.data import Dataset from torchvision.transforms import ( Compose, Normalize, RandomCrop, Resize, ToTensor, ) from torchvision.transforms import functional as TF from utils....
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/modelling/models.py
from typing import Dict import torch from torch import nn from torch.nn import functional as F from utils.model_utils import generate_square_subsequent_mask from modelling.configs import ( AppearanceModelConfig, MultimodalModelConfig, StltModelConfig, ) from modelling.resnets3d import generate_model cla...
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revisiting-spatial-temporal-layouts
revisiting-spatial-temporal-layouts-main/src/modelling/resnets3d.py
from functools import partial import torch import torch.nn as nn import torch.nn.functional as F def get_inplanes(): return [64, 128, 256, 512] def conv3x3x3(in_planes, out_planes, stride=1): return nn.Conv3d( in_planes, out_planes, kernel_size=3, stride=stride, padding=1, bias=False ) def co...
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AS_Molecule
AS_Molecule-master/base_model/sch.py
# -*- coding:utf-8 -*- import dgl import torch as th import torch.nn as nn from base_model.layers import AtomEmbedding, Interaction, ShiftSoftplus, RBFLayer from torch.nn.modules import PairwiseDistance class SchNetModel(nn.Module): """ SchNet Model from: Schütt, Kristof, et al. SchNet: A con...
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AS_Molecule
AS_Molecule-master/base_model/train_base.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle sys.path.append('..') from utils.funcs import * from base_model.schmodel import...
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AS_Molecule
AS_Molecule-master/base_model/layers.py
import torch as th import numpy as np import torch.nn as nn import dgl.function as fn from torch.nn import Softplus class AtomEmbedding(nn.Module): """ Convert the atom(node) list to atom embeddings. The atom with the same element share the same initial embeddding. """ def __init__(self, dim=128, ...
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AS_Molecule
AS_Molecule-master/base_model/schmodel.py
import torch as th import numpy as np import torch.nn as nn import dgl.function as fn from torch.nn import Softplus import dgl #cannot first write device in model class AtomEmbedding(nn.Module): """ Convert the atom(node) list to atom embeddings. The atom with the same element share the same initial embed...
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AS_Molecule
AS_Molecule-master/bayes_al/mm_sch.py
#!/usr/bin/env python #-*- coding:utf-8 _*- import torch as th import numpy as np import torch.nn as nn import dgl.function as fn from torch.nn import Softplus import random import dgl from torch.distributions.categorical import Categorical '''Message Masking Schnet, An attempt in one of my own models Masking some...
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AS_Molecule
AS_Molecule-master/bayes_al/msk_sch.py
#!/usr/bin/env python #-*- coding:utf-8 _*- import torch as th import numpy as np import torch.nn as nn import dgl.function as fn from torch.nn import Softplus import random import dgl from torch.distributions.categorical import Categorical '''Message Masking Schnet but mask message when training and testing ''' #ca...
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AS_Molecule
AS_Molecule-master/bayes_al/bald.py
import torch import numpy as np import time class Bayes_sampler(object): def __init__(self, args, total_data_num, batch_data_num, init_ids): self.args = args self.total_data_num = total_data_num self.batch_data_num = batch_data_num self.data_ids = np.delete(np.arange(self.total_dat...
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AS_Molecule
AS_Molecule-master/bayes_al/mc_sch.py
import torch as th import numpy as np import torch.nn as nn import dgl.function as fn from torch.nn import Softplus import dgl '''Monte Carlo Dropout Schnet for active learning''' #cannot first write device in model class AtomEmbedding(nn.Module): """ Convert the atom(node) list to atom embeddings. The at...
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py
AS_Molecule
AS_Molecule-master/bayes_al/bayes_learn.py
import torch import sys import torch.nn as nn from torch.utils.data import DataLoader import time import random from torchnet import meter sys.path.append('..') from bayes_al.bald import Bayes_sampler from config import * from utils.funcs import * from tensorboardX import SummaryWriter from bayes_al.mc_sch import MC_S...
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AS_Molecule
AS_Molecule-master/baseline/active-learning/utils/utils.py
# Copyright 2017 Google Inc. # # 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,...
10,503
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AS_Molecule
AS_Molecule-master/baseline/active-learning/utils/create_data.py
# Copyright 2017 Google Inc. # # 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,...
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AS_Molecule
AS_Molecule-master/baseline/active-learning/utils/allconv.py
# Copyright 2017 Google Inc. # # 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,...
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AS_Molecule
AS_Molecule-master/baseline/active-learning/utils/small_cnn.py
# Copyright 2017 Google Inc. # # 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,...
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AS_Molecule
AS_Molecule-master/qbc_learn/test_manager.py
from torch.multiprocessing import Manager,Queue,Process import numpy as np def tar(share,i): share[i][0] = i if __name__ == "__main__": manager = Manager() share = manager.list([np.zeros(4),np.zeros(4),np.zeros(4)]) ps = [] for i in range(3): p = Process(target=tar,args=(share,i)) p...
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AS_Molecule
AS_Molecule-master/qbc_learn/qbc.py
import torch from utils.funcs import * import numpy as np from torch.utils.data import DataLoader import torch.nn as nn from torchnet import meter from copy import deepcopy import torch.multiprocessing as mp # from torch.multiprocessing import Manager,Queue,Process,Pipe,Lock from config import * import time # from base...
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AS_Molecule
AS_Molecule-master/qbc_learn/test_procon.py
# import torch.multiprocessing as mp from utils.funcs import Molecule import numpy as np from torch.multiprocessing import Process, Queue, Lock import torch import random import time import os class TestClass(): def __init__(self,tensor,arr=np.zeros([3])): self.t = tensor self.p = arr # Producer f...
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AS_Molecule
AS_Molecule-master/qbc_learn/model.py
import torch as th import numpy as np import torch.nn as nn import dgl.function as fn from torch.nn import Softplus import dgl #cannot first write device in model class AtomEmbedding(nn.Module): """ Convert the atom(node) list to atom embeddings. The atom with the same element share the same initial embedd...
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AS_Molecule
AS_Molecule-master/geo_al/k_center.py
import numpy as np import torch import multiprocessing as mp import time from utils.funcs import * import random import math class K_center(object): def __init__(self, args, total_data_num, batch_data_num, init_ids): self.args = args self.total_data_num = total_data_num self.batch_data_num...
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AS_Molecule
AS_Molecule-master/geo_al/embedding_model.py
import torch as th import torch.nn as nn import numpy as np import dgl import dgl.function as fn from torch.nn import Softplus #cannot first write device in model class AtomEmbedding(nn.Module): """ Convert the atom(node) list to atom embeddings. The atom with the same element share the same initial embed...
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py
AS_Molecule
AS_Molecule-master/geo_al/k_center_cifar10.py
import torch.nn as nn import torch from geo_al.k_center import K_center from config import * from utils.funcs import * from torch.utils.data import DataLoader import torch.utils as utils import time import random from torchnet import meter from tensorboardX import SummaryWriter from geo_al.cnn import * class CNN_Cifa...
11,901
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py
AS_Molecule
AS_Molecule-master/geo_al/geo_learn.py
import torch import torch.nn as nn from geo_al.embedding_model import SchEmbedding from geo_al.k_center import K_center from config import * from utils.funcs import * from torch.utils.data import DataLoader import time import random from torchnet import meter from tensorboardX import SummaryWriter # K_center AL #load ...
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py
AS_Molecule
AS_Molecule-master/geo_al/dist_test.py
import numpy as np import time from multiprocessing import Pool import torch from geo_al.k_center import K_center if __name__ == "__main__": l = torch.randn(50000, 320) g = torch.randn(50000, 320) l = l.cuda(0) g = g.cuda(0) m = torch.zeros(l.size(0)) time0 = time.time() for i in range(l.si...
427
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py
AS_Molecule
AS_Molecule-master/single_model_al/wsl_al.py
import torch import torch.nn as nn from torch.utils.data import DataLoader import time import random import numpy as np import sys from tensorboardX import SummaryWriter sys.path.append('..') from pre_training.wsch import WSchnet, Semi_Schnet from single_model_al.sampler import AL_sampler, Inferencer, check_point_test...
10,450
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py
AS_Molecule
AS_Molecule-master/single_model_al/sampler.py
import torch import numpy as np import random import torch.nn as nn import time from copy import deepcopy import math from torch.utils.data import DataLoader from torchnet import meter from torch.optim import Adam import pandas as pd import sys import ot import torch.nn.functional as F import copy sys.path.append('..'...
48,770
40.018503
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py
AS_Molecule
AS_Molecule-master/single_model_al/run_al.py
import torch import torch.nn as nn from torch.utils.data import DataLoader import time import random import numpy as np import sys from tensorboardX import SummaryWriter sys.path.append('..') from bayes_al.mc_sch import MC_SchNetModel from bayes_al.mm_sch import MM_SchNetModel from base_model.schmodel import SchNetMod...
9,062
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py
AS_Molecule
AS_Molecule-master/utils/funcs.py
import networkx as nx from rdkit import Chem import numpy as np import torch import dgl from torch.utils.data import Dataset import pickle from torch.nn import DataParallel import os import torch.utils.data as data import random import time from sklearn.cluster import KMeans # import torch.multiprocessing as mp # torch...
25,279
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py
AS_Molecule
AS_Molecule-master/utils/prepare_data.py
import pickle import torch ''' Please download and prepare dataset files under the following instructions 1.download '''
130
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py
AS_Molecule
AS_Molecule-master/utils/data_utils.py
# -*- coding:utf-8 -*- """Example dataloader of Tencent Alchemy Dataset https://alchemy.tencent.com/ """ import os import zipfile import os.path as osp from rdkit import Chem from rdkit.Chem import ChemicalFeatures from rdkit import RDConfig import dgl from dgl.data.utils import download import torch from collections i...
9,990
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py
AS_Molecule
AS_Molecule-master/utils/pre/time_pre.py
import dgl import networkx as nx import numpy as np import time import pickle # import torch.multiprocessing as _mp from torch.multiprocessing import Pool, Manager, Process, Queue import sys import rdkit.Chem as Chem import torch from copy import deepcopy # from utils.funcs import Molecule torch.multiprocessing.set_sha...
6,546
29.03211
241
py
AS_Molecule
AS_Molecule-master/utils/pre/opv_savedata.py
from utils.funcs import Molecule import numpy as np from multiprocessing import Manager, Process import torch import dgl import sys sys.path.append('..') from utils.funcs import MoleDataset2 from config import Global_Config as Config config = Config() def get_mol(data): pos, atoms, edges, smi, prop, dists = data...
1,776
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py
AS_Molecule
AS_Molecule-master/utils/pre/op_savedata.py
import sys import os sys.path.append(os.path.abspath(os.path.join(os.getcwd(), "../.."))) from utils.funcs import Molecule import numpy as np from multiprocessing import Manager, Process import torch import dgl from utils.funcs import MoleDataset from config import Global_Config as Config config = Config() def get_m...
1,855
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py
AS_Molecule
AS_Molecule-master/utils/pre/parallelload.py
from utils.funcs import Molecule import numpy as np from multiprocessing import Manager, Process import torch import dgl import sys from utils.funcs import MoleDataset2 from config import Global_Config as Config config = Config() def get_mol(data): pos, atoms, edges, smi, prop, dists = data return Molecule(po...
1,753
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66
py
AS_Molecule
AS_Molecule-master/utils/data_clustering/smilarity_sch.py
#!/usr/bin/env python #-*- coding:utf-8 _*- import pickle from utils import * import rdkit from rdkit import Chem from rdkit import DataStructs import numpy as np from rdkit.Chem import rdMolDescriptors import pandas as pd from sklearn.decomposition import PCA from sklearn.preprocessing import MinMaxScaler from torch....
3,186
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py
AS_Molecule
AS_Molecule-master/utils/data_clustering/smilarity.py
import pickle from utils import * import rdkit from rdkit import Chem from rdkit import DataStructs import numpy as np from rdkit.Chem import rdMolDescriptors from config import Global_Config import pandas as pd from sklearn.decomposition import PCA from sklearn.preprocessing import MinMaxScaler import matplotlib.pyplo...
5,780
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py
AS_Molecule
AS_Molecule-master/pre_training/train_part_msg.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import random import pickle sys.path.append('..') from utils.funcs import * from base_model.s...
6,253
34.737143
171
py
AS_Molecule
AS_Molecule-master/pre_training/graph_ae.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle import torch.nn.functional as F import ot sys.path.append('..') from utils.func...
14,972
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279
py
AS_Molecule
AS_Molecule-master/pre_training/ot_pretrain.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle import ot import torch.nn.functional as F sys.path.append('..') from utils.func...
8,961
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py
AS_Molecule
AS_Molecule-master/pre_training/train_part.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import random import pickle sys.path.append('..') from utils.funcs import * from base_model.s...
6,692
35.57377
171
py
AS_Molecule
AS_Molecule-master/pre_training/w_ptr.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle sys.path.append('..') from utils.funcs import * from base_model.schmodel impor...
8,188
35.887387
144
py
AS_Molecule
AS_Molecule-master/pre_training/sch_embeddings.py
import torch as th import torch.nn as nn import numpy as np import dgl import dgl.function as fn from torch.nn import Softplus #cannot first write device in model class AtomEmbedding(nn.Module): """ Convert the atom(node) list to atom embeddings. The atom with the same element share the same initial embedd...
9,876
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py
AS_Molecule
AS_Molecule-master/pre_training/w_ptr_r.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle import torch.nn.functional as F import ot sys.path.append('..') from utils.fun...
11,913
37.934641
279
py
AS_Molecule
AS_Molecule-master/pre_training/wsch.py
#!/usr/bin/env python #-*- coding:utf-8 _*- '''Schnet in a weakly supervised manner 1. node level pre_training with node attributes Masking 2. graph level pre_training with contrasive loss or clustering loss 3. weakly supervised learning on specific properties ''' import torch as th import torch.nn as n...
30,468
30.50879
123
py
AS_Molecule
AS_Molecule-master/pre_training/ot_unsupervised.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle import torch.nn.functional as F import ot sys.path.append('..') from utils.func...
12,711
36.498525
279
py
AS_Molecule
AS_Molecule-master/pre_training/train_part_cls.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import random import pickle sys.path.append('..') from utils.funcs import * from base_model.s...
6,312
34.466292
171
py
AS_Molecule
AS_Molecule-master/pre_training/non_ptrain_cls.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import random import pickle sys.path.append('..') from utils.funcs import * from base_model.s...
9,243
35.25098
91
py
AS_Molecule
AS_Molecule-master/pre_training/train_part_transfer.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle import torch.nn.functional as F import ot sys.path.append('..') from utils.fun...
10,862
36.588235
279
py
AS_Molecule
AS_Molecule-master/pre_training/node_ptr.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle sys.path.append('..') from utils.funcs import * from base_model.schmodel import...
6,778
33.065327
94
py
AS_Molecule
AS_Molecule-master/pre_training/semi_supervised_learn.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle import torch.nn.functional as F import ot sys.path.append('..') from utils.fun...
13,797
36.906593
323
py
AS_Molecule
AS_Molecule-master/pre_training/w_ptr_part.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle sys.path.append('..') from utils.funcs import * from base_model.schmodel impor...
8,188
35.887387
144
py
AS_Molecule
AS_Molecule-master/pre_training/cls_ptr.py
#!usr/bin/env python3 # -*- coding:utf-8 -*- import argparse import torch import sys import torch.nn as nn from torch.utils.data import DataLoader from torchnet import meter from tensorboardX import SummaryWriter import time import pickle sys.path.append('..') from utils.funcs import * from base_model.schmodel import...
8,259
34.757576
144
py
AS_Molecule
AS_Molecule-master/rd_learn/rd_al.py
from utils.funcs import * import numpy as np import random import torch.nn as nn from torchnet import meter from torch.utils.data import DataLoader from tensorboardX import SummaryWriter from config import * from base_model.sch import SchNetModel from copy import deepcopy def random_data_sampler(MaDataset, label_rate...
7,055
33.930693
79
py
NEDMP
NEDMP-main/structure_generalization.py
import argparse import numpy as np import pickle as pkl from collections import defaultdict import torch from torch.utils import data from src.utils.dataset import graph_dataset from src.utils.utils import aligning, L1_error from src.model.model import NodeGNN, NEDMP def eval(model, loader): # Eval model.eva...
3,845
38.244898
146
py
NEDMP
NEDMP-main/train.py
import time import argparse import numpy as np from tqdm import tqdm import pickle as pkl from functools import partial import torch from torch import optim from torch.utils.data import DataLoader from src.utils.dataset import graph_dataset from src.utils.utils import aligning, L1_error from src.model.model import No...
8,214
39.668317
197
py
NEDMP
NEDMP-main/src/utils/utils.py
# -*- encoding: utf-8 -*- ''' @File : utils.py @Time : 2021/04/01 17:04:49 @Author : Fei gao @Contact : feig@mail.bnu.edu.cn BNU, Beijing, China ''' import scipy.sparse as sp import numpy as np import torch import networkx as nx def line_graph(edge_index, N, E): """generate the line graph from edg...
2,315
27.592593
105
py
NEDMP
NEDMP-main/src/utils/dataset.py
# -*- encoding: utf-8 -*- ''' @File : dataset.py @Time : 2021/03/30 20:38:14 @Author : Fei gao @Contact : feig@mail.bnu.edu.cn BNU, Beijing, China ''' from numpy.lib.arraysetops import isin from scipy import sparse from scipy.sparse import block_diag import networkx as nx import scipy.sparse as sp impor...
4,747
34.699248
107
py
NEDMP
NEDMP-main/src/model/model.py
from numpy import NaN import torch import torch.nn as nn import torch.nn.functional as F from torch_scatter import scatter class baseModule(nn.Module): def __init__(self): super(baseModule, self).__init__() def loss_function(self, p, q, reduce="mean"): logits = p labels = q lo...
18,399
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py