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""" Datasets for core experimental results """ import os import pickle from functools import partial from pathlib import Path import numpy as np import torch import torchvision from einops import rearrange from einops.layers.torch import Rearrange from src.utils import is_list, permutations from torch.nn import funct...
hyena-dna-main
src/dataloaders/base.py
import torch import csv import pandas as pd import numpy as np from tqdm import tqdm import liftover from pathlib import Path from pyfaidx import Fasta from random import randrange, random def exists(val): return val is not None def coin_flip(): return random() > 0.5 string_complement_map = {'A': 'T', 'C': ...
hyena-dna-main
src/dataloaders/datasets/chromatin_profile_dataset.py
from pyfaidx import Fasta import torch from random import random from pathlib import Path from src.dataloaders.datasets.hg38_char_tokenizer import CharacterTokenizer def coin_flip(): return random() > 0.5 # augmentations string_complement_map = {'A': 'T', 'C': 'G', 'G': 'C', 'T': 'A', 'a': 't', 'c': 'g', 'g': ...
hyena-dna-main
src/dataloaders/datasets/nucleotide_transformer_dataset.py
from itertools import islice from functools import partial import os import functools # import json # from pathlib import Path # from pyfaidx import Fasta # import polars as pl # import pandas as pd import torch from random import randrange, random import numpy as np from pathlib import Path from src.dataloaders.data...
hyena-dna-main
src/dataloaders/datasets/genomic_bench_dataset.py
""" From: https://github.com/dariush-bahrami/character-tokenizer/blob/master/charactertokenizer/core.py CharacterTokenzier for Hugging Face Transformers. This is heavily inspired from CanineTokenizer in transformers package. """ import json import os from pathlib import Path from typing import Dict, List, Optional, S...
hyena-dna-main
src/dataloaders/datasets/hg38_char_tokenizer.py
from pathlib import Path from pyfaidx import Fasta import polars as pl import pandas as pd import torch from random import randrange, random import numpy as np """ Dataset for sampling arbitrary intervals from the human genome. """ # helper functions def exists(val): return val is not None def coin_flip():...
hyena-dna-main
src/dataloaders/datasets/hg38_dataset.py
# Inspired by https://github.com/NVIDIA/Megatron-LM/blob/main/tasks/zeroshot_gpt/datasets.py # Except we don't pad the last block and don't use overlapping eval # And we return both the input and the target import math import numpy as np import torch class LMDataset(torch.utils.data.Dataset): def __init__(self,...
hyena-dna-main
src/dataloaders/datasets/lm_dataset.py
import torch from random import random, randint import numpy as np from pathlib import Path from src.dataloaders.datasets.hg38_char_tokenizer import CharacterTokenizer from genomic_benchmarks.loc2seq import download_dataset from genomic_benchmarks.data_check import is_downloaded """ In-Context learning version of G...
hyena-dna-main
src/dataloaders/datasets/icl_genomics_dataset.py
from itertools import islice from functools import partial # import tensorflow as tf import os import functools import json from pathlib import Path from pyfaidx import Fasta import polars as pl import pandas as pd import torch from random import randrange, random, randint import numpy as np from src.dataloaders.datase...
hyena-dna-main
src/dataloaders/datasets/hg38_icl_dataset.py
import os from pathlib import Path from pyfaidx import Fasta import torch import shutil import gzip import random from typing import Optional, Union, Dict, List from src.dataloaders.datasets.hg38_char_tokenizer import CharacterTokenizer import collections """ Dataset that randomly samples sequences of length (X) from ...
hyena-dna-main
src/dataloaders/datasets/species_dataset.py
from pathlib import Path from pyfaidx import Fasta import torch """ Just a fixed length dataset for 2 test chromosomes, to ensure the test set is the same. """ # helper functions def exists(val): return val is not None class HG38FixedDataset(torch.utils.data.Dataset): ''' Loop thru bed file, retrieve...
hyena-dna-main
src/dataloaders/datasets/hg38_fixed_dataset.py
# Copyright (c) 2019-2020, 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 copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by...
hyena-dna-main
src/dataloaders/utils/vocabulary.py
"""Utilities for special optimizer hyperparameters. group_parameters_for_optimizer is a modification of timm's optimizer logic, which is currently unused add_optimizer_hooks is an improved version that uses this codebase's _optim dictionary """ import inspect import torch.nn as nn import hydra def add_optimizer_h...
hyena-dna-main
src/utils/optim_groups.py
""" Utilities for dealing with collection objects (lists, dicts) and configs """ from typing import Sequence, Mapping, Optional, Callable import functools import hydra from omegaconf import ListConfig, DictConfig # TODO this is usually used in a pattern where it's turned into a list, so can just do that here def is_li...
hyena-dna-main
src/utils/config.py
optimizer = { "adam": "torch.optim.Adam", "adamw": "torch.optim.AdamW", "rmsprop": "torch.optim.RMSprop", "sgd": "torch.optim.SGD", "lamb": "src.utils.optim.lamb.JITLamb", } scheduler = { "constant": "transformers.get_constant_schedule", "plateau": "torch.optim.lr_scheduler.ReduceLROnPlatea...
hyena-dna-main
src/utils/registry.py
from .config import is_list, is_dict, to_list, to_dict, get_class, instantiate
hyena-dna-main
src/utils/__init__.py
import math import numpy as np import torch ### Bit reversal permutation def bitreversal_po2(n): m = int(math.log(n)/math.log(2)) perm = np.arange(n).reshape(n,1) for i in range(m): n1 = perm.shape[0]//2 perm = np.hstack((perm[:n1],perm[n1:])) return perm.squeeze(0) def bitreversal_p...
hyena-dna-main
src/utils/permutations.py
# Copyright (c) 2019-2020, 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 copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by...
hyena-dna-main
src/utils/distributed.py
""" Utils for the training loop. Copied from https://github.com/HazyResearch/transformers/blob/master/src/utils/utils.py """ import logging import os import warnings from typing import List, Sequence import torch.nn as nn import pytorch_lightning as pl import rich.syntax import rich.tree from omegaconf import DictConf...
hyena-dna-main
src/utils/train.py
import torch import torch.utils.benchmark as benchmark def _get_gpu_mem(synchronize=True, empty_cache=True): return torch.cuda.memory_allocated() / ( (2**20) * 1000 ), torch.cuda.memory_cached() / ((2**20) * 1000) def _generate_mem_hook(handle_ref, mem, idx, hook_type, exp): def hook(self, *args...
hyena-dna-main
src/utils/profiling.py
# Copyright (c) 2019-2020, 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 copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by...
hyena-dna-main
src/utils/optim/lamb.py
"""Custom learning rate schedulers""" import math import warnings import torch from timm.scheduler import CosineLRScheduler # https://pytorch.org/docs/stable/_modules/torch/optim/lr_scheduler.html class CosineWarmup(torch.optim.lr_scheduler.CosineAnnealingLR): def __init__(self, optimizer, T_max, eta_min=0, wa...
hyena-dna-main
src/utils/optim/schedulers.py
""" Implementations of different types of residual functions. """ import torch from torch import nn class Residual(nn.Module): """ Residual connection with constant affine weights. Can simulate standard residual, no residual, and "constant gates". """ def __init__(self, i_layer, d_input, d_model, alpha=1.0, ...
hyena-dna-main
src/models/nn/residual.py
# Copyright (c) 2019-2020, 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 copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by...
hyena-dna-main
src/models/nn/adaptive_softmax.py
from .components import LinearActivation, Activation, Normalization, DropoutNd
hyena-dna-main
src/models/nn/__init__.py
""" Utility wrappers around modules to let them handle Args and extra arguments """ import inspect from functools import wraps import torch from torch import nn def wrap_kwargs(f): """ Given a callable f that can consume some named arguments, wrap it with a kwargs that passes back any unused args EXA...
hyena-dna-main
src/models/nn/utils.py
""" Defines flexible gating mechanisms based on ideas from LSSL paper and UR-LSTM paper https://arxiv.org/abs/1910.09890 """ import torch import torch.nn as nn class Gate(nn.Module): """ Implements gating mechanisms. TODO update this with more detailed description with reference to LSSL paper when it's on arxiv ...
hyena-dna-main
src/models/nn/gate.py
"""Implementations of several types of Discrete Sin/Cosine Transforms with various reductions to FFT. Currently not used by S4 """ import torch import torch.nn as nn import numpy as np import scipy.fft from einops import rearrange, repeat class DCT(nn.Module): """ Reductions adapted from https://dsp.stackexchang...
hyena-dna-main
src/models/nn/dxt.py
""" Utility nn components, in particular handling activations, initializations, and normalization layers """ from functools import partial import math from typing import ForwardRef import torch import torch.nn as nn import torch.nn.functional as F from einops import rearrange from opt_einsum import contract def stoc...
hyena-dna-main
src/models/nn/components.py
# Copyright (c) 2023, Tri Dao, Dan Fu. # Simplified, mostly standalone version of LongConvLM for synthetics. import math from functools import partial from collections import namedtuple import torch import torch.nn as nn import torch.nn.functional as F from torchvision.ops import StochasticDepth from einops import ...
hyena-dna-main
src/models/sequence/simple_lm.py
""" Implementation of FFN block in the style of Transformers """ from functools import partial from torch import nn from src.models.sequence.base import SequenceModule from src.models.nn import LinearActivation, DropoutNd class FF(SequenceModule): def __init__(self, d_input, expand=2, d_output=None, transposed=Fa...
hyena-dna-main
src/models/sequence/ff.py
'''PyTorch version of the block FFT convolution as described in the H3 paper.''' import torch from einops import rearrange import math from torch import nn from src.models.nn import Activation from src.utils.train import OptimModule def ref_dft_matrix(N, H=1): """Compute the DFT matrix of size N x N. Thi...
hyena-dna-main
src/models/sequence/block_fft.py
from .base import SequenceModule, TransposedModule from .model import SequenceModel from .ff import FF
hyena-dna-main
src/models/sequence/__init__.py
from functools import partial import torch import torch.nn as nn from flash_attn.utils.generation import GenerationMixin from flash_attn.utils.distributed import sync_shared_params try: from flash_attn.ops.fused_dense import ColumnParallelLinear except ImportError: ColumnParallelLinear = None # grab all func...
hyena-dna-main
src/models/sequence/dna_embedding.py
import torch import torch.nn as nn import torch.nn.functional as F from einops import rearrange import opt_einsum as oe optimized = True if optimized: contract = oe.contract else: contract = torch.einsum from src.models.nn import LinearActivation, Activation, DropoutNd from src.models.sequence.block_fft impo...
hyena-dna-main
src/models/sequence/long_conv.py
import copy import math import re from functools import partial from collections import namedtuple, OrderedDict from collections.abc import Sequence import torch import torch.nn as nn import torch.nn.functional as F from torch.utils.checkpoint import checkpoint from transformers.models.gpt2.configuration_gpt2 import...
hyena-dna-main
src/models/sequence/long_conv_lm.py
""" Isotropic deep sequence model backbone, in the style of ResNets / Transformers. The SequenceModel class implements a generic (batch, length, d_input) -> (batch, length, d_output) transformation """ from functools import partial import torch import torch.nn as nn from einops import rearrange from src.utils.confi...
hyena-dna-main
src/models/sequence/model.py
import torch import torch.nn as nn import torch.nn.functional as F from einops import repeat from src.utils.train import OptimModule class LongConvKernel(OptimModule): def __init__( self, H, L, channels=1, learning_rate=None, lam=0.1, causal=True, ...
hyena-dna-main
src/models/sequence/long_conv_kernel.py
import math import sys from re import U import torch import torch.nn as nn import torch.nn.functional as F from functools import partial from einops import rearrange, repeat try: from src.ops.fftconv import fftconv_ref, fftconv_func, fftconv_heads_ref except ImportError: fftconv_func = None try: from f...
hyena-dna-main
src/models/sequence/hyena.py
""" Implements a full residual block around a black box layer Configurable options include: normalization position: prenorm or postnorm normalization type: batchnorm, layernorm etc. subsampling/pooling residual options: feedforward, residual, affine scalars, depth-dependent scaling, etc. """ from torch import nn fro...
hyena-dna-main
src/models/sequence/block.py
"""Implements downsampling and upsampling on sequences.""" import torch from torch import nn import torch.nn.functional as F from einops import rearrange, repeat, reduce from src.models.sequence import SequenceModule from src.models.nn import LinearActivation """ Simple pooling functions that just downsample or repe...
hyena-dna-main
src/models/sequence/pool.py
from torch import nn import functools class SequenceModule(nn.Module): """Abstract sequence model class. All models must adhere to this interface A SequenceModule is generally a model that transforms an input of shape (n_batch, l_sequence, d_model) to (n_batch, l_sequence, d_output) REQUIRED methods ...
hyena-dna-main
src/models/sequence/base.py
""" Wrapper around nn.MultiheadAttention to adhere to SequenceModule interface. """ import torch import torch.nn.functional as F from torch import nn import hydra from src.models.sequence.base import SequenceModule, TransposedModule import src.models.nn.utils as U from einops import rearrange @TransposedModule class ...
hyena-dna-main
src/models/sequence/mha.py
import math import torch import torch.nn.functional as F from einops import rearrange from fftconv import fftconv_fwd, fftconv_bwd @torch.jit.script def _mul_sum(y, q): return (y * q).sum(dim=1) # reference convolution with residual connection def fftconv_ref(u, k, D, dropout_mask, gelu=True, k_rev=None): ...
hyena-dna-main
src/ops/fftconv.py
"""pykeops implementations of the Vandermonde matrix multiplication kernel used in the S4D kernel.""" import math import torch from einops import rearrange, repeat from opt_einsum import contract import os try: import pykeops from pykeops.torch import LazyTensor, Genred except: pass try: from cauchy...
hyena-dna-main
src/ops/vandermonde.py
""" Old utilities for parallel scan implementation of Linear RNNs. """ # TODO this file could use much cleanup import torch import torch.nn as nn import torch.nn.functional as F import numpy as np import math from src.models.functional.toeplitz import triangular_toeplitz_multiply, triangular_toeplitz_multiply_padded ...
hyena-dna-main
src/ops/unroll.py
""" Compute a Krylov function efficiently. (S4 renames the Krylov function to a "state space kernel") A : (N, N) b : (N,) c : (N,) Return: [c^T A^i b for i in [L]] """ import torch import torch.nn.functional as F from einops import rearrange, repeat from src.ops.toeplitz import causal_convolution def krylov_sequent...
hyena-dna-main
src/ops/krylov.py
""" Utilities for computing convolutions. There are 3 equivalent views: 1. causal convolution 2. multiplication of (lower) triangular Toeplitz matrices 3. polynomial multiplication (mod x^N) """ import torch import torch.nn as nn import torch.nn.functional as F def construct_toeplitz(v, f=0.0): """E...
hyena-dna-main
src/ops/toeplitz.py
from setuptools import setup, find_packages setup( name = 'graph-transformer-pytorch', packages = find_packages(), version = '0.1.1', license='MIT', description = 'Graph Transformer - Pytorch', author = 'Phil Wang', author_email = 'lucidrains@gmail.com', url = 'https://github.com/lucidrains/graph-trans...
graph-transformer-pytorch-main
setup.py
import torch from torch import nn, einsum from einops import rearrange, repeat from rotary_embedding_torch import RotaryEmbedding, apply_rotary_emb # helpers def exists(val): return val is not None def default(val, d): return val if exists(val) else d List = nn.ModuleList # normalizations class PreNorm(n...
graph-transformer-pytorch-main
graph_transformer_pytorch/graph_transformer_pytorch.py
from graph_transformer_pytorch.graph_transformer_pytorch import GraphTransformer
graph-transformer-pytorch-main
graph_transformer_pytorch/__init__.py
from setuptools import setup, find_packages setup( name = 'axial_positional_embedding', packages = find_packages(), version = '0.2.1', license='MIT', description = 'Axial Positional Embedding', author = 'Phil Wang', author_email = 'lucidrains@gmail.com', url = 'https://github.com/lucidrains/axial-posit...
axial-positional-embedding-master
setup.py
import torch from torch import nn from operator import mul from functools import reduce class AxialPositionalEmbedding(nn.Module): def __init__(self, dim, axial_shape, axial_dims = None): super().__init__() self.dim = dim self.shape = axial_shape self.max_seq_len = reduce(mul, axia...
axial-positional-embedding-master
axial_positional_embedding/axial_positional_embedding.py
from axial_positional_embedding.axial_positional_embedding import AxialPositionalEmbedding, AxialPositionalEmbeddingImage
axial-positional-embedding-master
axial_positional_embedding/__init__.py
import copy import json import math import re import collections import numpy as np import torch import torch.nn as nn import torch.nn.functional as F from torch.nn.parameter import Parameter def gelu(x): return 0.5 * x * (1 + torch.tanh(math.sqrt(2 / math.pi) * (x + 0.044715 * torch.pow(x, 3)))) def swish(x):...
tweet-stance-prediction-master
transformer-openai/model_pytorch.py
import argparse import os import random import numpy as np import torch import torch.nn as nn from sklearn.metrics import accuracy_score from sklearn.utils import shuffle from datasets import stance from model_pytorch import DoubleHeadModel, load_openai_pretrained_model from opt import OpenAIAdam from text_utils impo...
tweet-stance-prediction-master
transformer-openai/train_stance.py
import os import json import numpy as np import pandas as pd from sklearn.metrics import accuracy_score from datasets import _rocstories def rocstories(data_dir, pred_path, log_path): preds = pd.read_csv(pred_path, delimiter='\t')['prediction'].values.tolist() _, _, _, labels = _rocstories(os.path.join(data_...
tweet-stance-prediction-master
transformer-openai/analysis.py
import re import ftfy import json import spacy from tqdm import tqdm def get_pairs(word): """ Return set of symbol pairs in a word. word is represented as tuple of symbols (symbols being variable-length strings) """ pairs = set() prev_char = word[0] for char in word[1:]: pairs.add(...
tweet-stance-prediction-master
transformer-openai/text_utils.py
import os import csv import numpy as np import pandas as pd from pathlib import Path from tqdm import tqdm from sklearn.utils import shuffle from sklearn.model_selection import train_test_split seed = 3535999445 def _rocstories(path): with open(path, encoding='utf_8') as f: f = csv.reader(f) st ...
tweet-stance-prediction-master
transformer-openai/datasets.py
import pandas as pd import sys def output_predictions(test_path, pred_path, out_path, topic): test = pd.read_csv(test_path, delimiter='\t', header=0, encoding = "latin-1") if topic is not None: test = test.loc[test["Target"] == topic].reset_index() def clean_ascii(text): # function to remov...
tweet-stance-prediction-master
transformer-openai/parse_output.py
import math import torch from torch.optim import Optimizer from torch.nn.utils import clip_grad_norm_ def warmup_cosine(x, warmup=0.002): s = 1 if x <= warmup else 0 return s*(x/warmup) + (1-s)*(0.5 * (1 + torch.cos(math.pi * x))) def warmup_constant(x, warmup=0.002): s = 1 if x <= warmup else 0 retur...
tweet-stance-prediction-master
transformer-openai/opt.py
import torch class MultipleChoiceLossCompute: "A Loss compute and train function for multiple choice tasks." def __init__(self, lm_criterion, clf_criterion, lm_coef, opt=None): self.lm_criterion = lm_criterion self.clf_criterion = clf_criterion self.lm_coef = lm_coef self.opt =...
tweet-stance-prediction-master
transformer-openai/loss.py
import os import sys import json import time from functools import partial import numpy as np # import tensorflow as tf # from tensorflow.python.framework import function from tqdm import tqdm def encode_dataset(*splits, encoder): encoded_splits = [] for split in splits: fields = [] for field i...
tweet-stance-prediction-master
transformer-openai/utils.py
import argparse import os import random import numpy as np import torch import torch.nn as nn from sklearn.metrics import accuracy_score from sklearn.utils import shuffle from analysis import rocstories as rocstories_analysis from datasets import rocstories from model_pytorch import DoubleHeadModel, load_openai_pretr...
tweet-stance-prediction-master
transformer-openai/train.py
from setuptools import setup, find_packages setup( name = 'remixer-pytorch', packages = find_packages(exclude=[]), version = '0.0.3', license='MIT', description = 'Remixer - Pytorch', author = 'Phil Wang', author_email = 'lucidrains@gmail.com', url = 'https://github.com/lucidrains/remixer-pytorch', k...
remixer-pytorch-main
setup.py
from remixer_pytorch.remixer_pytorch import RemixerBlock
remixer-pytorch-main
remixer_pytorch/__init__.py
import torch import torch.nn.functional as F from torch import nn, einsum from einops import rearrange class RemixerBlock(nn.Module): def __init__( self, dim, seq_len, causal = False, bias = False ): super().__init__() self.causal = causal self.pr...
remixer-pytorch-main
remixer_pytorch/remixer_pytorch.py
import torch from torch.optim import Adam from torch.utils.data import DataLoader import torch.nn.functional as F from einops import rearrange import sidechainnet as scn from alphafold2_pytorch import Alphafold2 import alphafold2_pytorch.constants as constants from alphafold2_pytorch.utils import get_bucketed_distance...
alphafold2-main
train_pre.py
import torch from torch.optim import Adam from torch.utils.data import DataLoader import torch.nn.functional as F from einops import rearrange # data import sidechainnet as scn from sidechainnet.sequence.utils import VOCAB from sidechainnet.structure.build_info import NUM_COORDS_PER_RES # models from alphafold2_pyt...
alphafold2-main
train_end2end.py
from setuptools import setup, find_packages setup( name = 'alphafold2-pytorch', packages = find_packages(), version = '0.4.32', license='MIT', description = 'AlphaFold2 - Pytorch', long_description_content_type = 'text/markdown', author = 'Phil Wang, Eric Alcaide', author_email = 'lucidrains@gmail.com,...
alphafold2-main
setup.py
import torch import torch.nn as nn from torch.autograd.function import Function from torch.utils.checkpoint import get_device_states, set_device_states from contextlib import contextmanager from einops import reduce # helpers def exists(val): return val is not None @contextmanager def null_context(): yield ...
alphafold2-main
alphafold2_pytorch/reversible.py
import math import torch import torch.nn.functional as F from torch import nn, einsum from alphafold2_pytorch import constants from einops import rearrange # MSA MLM def get_mask_subset_with_prob(mask, prob): batch, seq_len, device = *mask.shape, mask.device max_masked = math.ceil(prob * seq_len) num_to...
alphafold2-main
alphafold2_pytorch/mlm.py
import torch # constants MAX_NUM_MSA = 20 MAX_NUM_TEMPLATES = 10 NUM_AMINO_ACIDS = 21 NUM_EMBEDDS_TR = 1280 # best esm model NUM_EMBEDDS_T5 = 1024 # best t5 model NUM_COORDS_PER_RES = 14 DISTOGRAM_BUCKETS = 37 THETA_BUCKETS = 25 PHI_BUCKETS = 13 OMEGA_BUCKETS = 25 # embedding related constants MSA_EMBED_DIM = 76...
alphafold2-main
alphafold2_pytorch/constants.py
from alphafold2_pytorch.alphafold2 import Alphafold2, Evoformer
alphafold2-main
alphafold2_pytorch/__init__.py
# utils for working with 3d-protein structures import os import re import numpy as np import torch import contextlib from functools import wraps from einops import rearrange, repeat # import torch_sparse # only needed for sparse nth_deg adj calculation # bio from Bio import SeqIO import itertools import string # sid...
alphafold2-main
alphafold2_pytorch/utils.py
import torch from torch import nn, einsum from torch.utils.checkpoint import checkpoint, checkpoint_sequential from inspect import isfunction from functools import partial from dataclasses import dataclass import torch.nn.functional as F from math import sqrt from einops import rearrange, repeat, reduce from einops.la...
alphafold2-main
alphafold2_pytorch/alphafold2.py
import torch import torch.nn.functional as F from torch import nn from alphafold2_pytorch.utils import get_msa_embedd, get_esm_embedd, get_prottran_embedd, exists from alphafold2_pytorch.constants import MSA_MODEL_PATH, MSA_EMBED_DIM, ESM_MODEL_PATH, ESM_EMBED_DIM, PROTTRAN_EMBED_DIM from einops import rearrange cla...
alphafold2-main
alphafold2_pytorch/embeds.py
from math import log, sqrt, pi import torch from torch import nn, einsum from einops import rearrange, repeat # rotary embedding helpers def rotate_every_two(x): x = rearrange(x, '... (d j) -> ... d j', j = 2) x1, x2 = x.unbind(dim = -1) x = torch.stack((-x2, x1), dim = -1) return rearrange(x, '... d...
alphafold2-main
alphafold2_pytorch/rotary.py
import torch import numpy as np from alphafold2_pytorch.utils import * def test_mat_to_masked(): # nodes x = torch.ones(19, 3) x_mask = torch.randn(19) > -0.3 # edges edges_mat = torch.randn(19, 19) < 1 edges = torch.nonzero(edges_mat, as_tuple=False).t() # test normal edges / nodes cl...
alphafold2-main
tests/test_utils.py
import torch from torch import nn from einops import repeat from alphafold2_pytorch.alphafold2 import Alphafold2 from alphafold2_pytorch.utils import * def test_main(): model = Alphafold2( dim = 32, depth = 2, heads = 2, dim_head = 32 ) seq = torch.randint(0, 21, (2, 128))...
alphafold2-main
tests/test_attention.py
alphafold2-main
training_scripts/deepspeed.py
alphafold2-main
training_scripts/lightning.py
alphafold2-main
training_scripts/datasets/__init__.py
import pickle import string from argparse import ArgumentParser from pathlib import Path from typing import Callable, List, Optional, Tuple, Union import numpy as np import numpy.linalg as LA import prody import torch from Bio import SeqIO from einops import repeat from sidechainnet.utils.measure import get_seq_coords...
alphafold2-main
training_scripts/datasets/trrosetta.py
# will use FastRelax routine to refine structure import os import json import warnings # science import numpy as np # pyrosetta installation instructs in readme try: import pyrosetta except ModuleNotFoundError: msg = "Unable to find an existing installation of the PyRosetta module. " +\ "Functions in...
alphafold2-main
scripts/refinement.py
from setuptools import setup, find_packages exec(open('denoising_diffusion_pytorch/version.py').read()) setup( name = 'denoising-diffusion-pytorch', packages = find_packages(), version = __version__, license='MIT', description = 'Denoising Diffusion Probabilistic Models - Pytorch', author = 'Phil Wang', ...
denoising-diffusion-pytorch-main
setup.py
from math import sqrt from random import random import torch from torch import nn, einsum import torch.nn.functional as F from tqdm import tqdm from einops import rearrange, repeat, reduce # helpers def exists(val): return val is not None def default(val, d): if exists(val): return val return d(...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/elucidated_diffusion.py
import math from pathlib import Path from random import random from functools import partial from collections import namedtuple from multiprocessing import cpu_count import torch from torch import nn, einsum, Tensor import torch.nn.functional as F from torch.cuda.amp import autocast from torch.optim import Adam from t...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/denoising_diffusion_pytorch_1d.py
import math import copy from pathlib import Path from random import random from functools import partial from collections import namedtuple from multiprocessing import cpu_count import torch from torch import nn, einsum import torch.nn.functional as F from torch.cuda.amp import autocast from torch.utils.data import Da...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/guided_diffusion.py
__version__ = '1.8.11'
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/version.py
import math import copy from pathlib import Path from random import random from functools import partial from collections import namedtuple from multiprocessing import cpu_count import torch from torch import nn, einsum from torch.cuda.amp import autocast import torch.nn.functional as F from torch.utils.data import Da...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/denoising_diffusion_pytorch.py
from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, Unet, Trainer from denoising_diffusion_pytorch.learned_gaussian_diffusion import LearnedGaussianDiffusion from denoising_diffusion_pytorch.continuous_time_gaussian_diffusion import ContinuousTimeGaussianDiffusion from denoising_diff...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/__init__.py
import math import torch from torch import sqrt from torch import nn, einsum import torch.nn.functional as F from torch.cuda.amp import autocast from torch.special import expm1 from tqdm import tqdm from einops import rearrange, repeat, reduce from einops.layers.torch import Rearrange # helpers def exists(val): ...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/continuous_time_gaussian_diffusion.py
import math from functools import partial, wraps import torch from torch import sqrt from torch import nn, einsum import torch.nn.functional as F from torch.special import expm1 from torch.cuda.amp import autocast from tqdm import tqdm from einops import rearrange, repeat, reduce, pack, unpack from einops.layers.torc...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/simple_diffusion.py
import math import copy from pathlib import Path from random import random from functools import partial from collections import namedtuple from multiprocessing import cpu_count import torch from torch import nn, einsum import torch.nn.functional as F from torch.cuda.amp import autocast from einops import rearrange, ...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/classifier_free_guidance.py
from functools import wraps from packaging import version from collections import namedtuple import torch from torch import nn, einsum import torch.nn.functional as F from einops import rearrange # constants AttentionConfig = namedtuple('AttentionConfig', ['enable_flash', 'enable_math', 'enable_mem_efficient']) # ...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/attend.py
import torch from inspect import isfunction from torch import nn, einsum from einops import rearrange from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion # helper functions def exists(x): return x is not None def default(val, d): if exists(val): return val retur...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/weighted_objective_gaussian_diffusion.py
import math import torch from torch import sqrt from torch import nn, einsum import torch.nn.functional as F from torch.special import expm1 from torch.cuda.amp import autocast from tqdm import tqdm from einops import rearrange, repeat, reduce from einops.layers.torch import Rearrange # helpers def exists(val): ...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/v_param_continuous_time_gaussian_diffusion.py
import torch from collections import namedtuple from math import pi, sqrt, log as ln from inspect import isfunction from torch import nn, einsum from einops import rearrange from denoising_diffusion_pytorch.denoising_diffusion_pytorch import GaussianDiffusion, extract, unnormalize_to_zero_to_one # constants NAT = 1....
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/learned_gaussian_diffusion.py
import math import os import numpy as np import torch from einops import rearrange, repeat from pytorch_fid.fid_score import calculate_frechet_distance from pytorch_fid.inception import InceptionV3 from torch.nn.functional import adaptive_avg_pool2d from tqdm.auto import tqdm def num_to_groups(num, divisor): gro...
denoising-diffusion-pytorch-main
denoising_diffusion_pytorch/fid_evaluation.py