DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL

Authors: Babak Alipanahi , Andrew Delong , Matthew T Weirauch , Brendan J Frey

License: BSD 3-Clause

Contributed by: Johnny Israeli

Cite as: https://doi.org/10.1038/nbt.3300

Type: keras

Postprocessing: variant_effects

Trained on: ?All chromosomes? Data from protein binding microarrays (Mukherjee et al., 2004), RNAcompete assays (Ray et al., 2009), ChIP-seq (Kharchenko et al., 2008), and HT-SELEX (Jolma et al., 2010)

Source files

Abstract: Knowing the sequence specificities of DNA- and RNA-binding proteins is essential for developing models of the regulatory processes in biological systems and for identifying causal disease variants. Here we show that sequence specificities can be ascertained from experimental data with 'deep learning' techniques, which offer a scalable, flexible and unified computational approach for pattern discovery. Using a diverse array of experimental data and evaluation metrics, we find that deep learning outperforms other state-of-the-art methods, even when training on in vitro data and testing on in vivo data. We call this approach DeepBind and have built a stand-alone software tool that is fully automatic and handles millions of sequences per experiment. Specificities determined by DeepBind are readily visualized as a weighted ensemble of position weight matrices or as a 'mutation map' that indicates how variations affect binding within a specific sequence.

Create a new conda environment with all dependencies installed
kipoi env create DeepBind
source activate kipoi-DeepBind
Test the model
kipoi test DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL --source=kipoi
Make a prediction
kipoi get-example DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL -o example
kipoi predict DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL \
  --dataloader_args='{"intervals_file": "example/intervals_file", "fasta_file": "example/fasta_file"}' \
  -o '/tmp/DeepBind|Homo_sapiens|RBP|D00216.001_RNAcompete_HNRPLL.example_pred.tsv'
# check the results
head '/tmp/DeepBind|Homo_sapiens|RBP|D00216.001_RNAcompete_HNRPLL.example_pred.tsv'
Create a new conda environment with all dependencies installed
kipoi env create DeepBind
source activate kipoi-DeepBind
Get the model
import kipoi
model = kipoi.get_model('DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL')
Make a prediction for example files
pred = model.pipeline.predict_example(batch_size=4)
Use dataloader and model separately
# Download example dataloader kwargs
dl_kwargs = model.default_dataloader.download_example('example')
# Get the dataloader and instantiate it
dl = model.default_dataloader(**dl_kwargs)
# get a batch iterator
batch_iterator = dl.batch_iter(batch_size=4)
for batch in batch_iterator:
    # predict for a batch
    batch_pred = model.predict_on_batch(batch['inputs'])
Make predictions for custom files directly
pred = model.pipeline.predict(dl_kwargs, batch_size=4)
Get the model
library(reticulate)
kipoi <- import('kipoi')
model <- kipoi$get_model('DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL')
Make a prediction for example files
predictions <- model$pipeline$predict_example()
Use dataloader and model separately
# Download example dataloader kwargs
dl_kwargs <- model$default_dataloader$download_example('example')
# Get the dataloader
dl <- model$default_dataloader(dl_kwargs)
# get a batch iterator
it <- dl$batch_iter(batch_size=4)
# predict for a batch
batch <- iter_next(it)
model$predict_on_batch(batch$inputs)
Make predictions for custom files directly
pred <- model$pipeline$predict(dl_kwargs, batch_size=4)
Get the docker image
docker pull kipoi/kipoi-docker:sharedpy3keras2tf1-slim
Get the full sized docker image
docker pull kipoi/kipoi-docker:sharedpy3keras2tf1
Get the activated conda environment inside the container
docker run -it kipoi/kipoi-docker:sharedpy3keras2tf1-slim
Test the model
docker run kipoi/kipoi-docker:sharedpy3keras2tf1-slim kipoi test DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL --source=kipoi
Make prediction for custom files directly
# Create an example directory containing the data
mkdir -p $PWD/kipoi-example 
# You can replace $PWD/kipoi-example with a different absolute path containing the data 
docker run -v $PWD/kipoi-example:/app/ kipoi/kipoi-docker:sharedpy3keras2tf1-slim \
kipoi get-example DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL -o /app/example 
docker run -v $PWD/kipoi-example:/app/ kipoi/kipoi-docker:sharedpy3keras2tf1-slim \
kipoi predict DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL \
--dataloader_args='{'intervals_file': '/app/example/intervals_file', 'fasta_file': '/app/example/fasta_file'}' \
-o '/app/DeepBind_Homo_sapiens_RBP_D00216.001_RNAcompete_HNRPLL.example_pred.tsv' 
# check the results
head $PWD/kipoi-example/DeepBind_Homo_sapiens_RBP_D00216.001_RNAcompete_HNRPLL.example_pred.tsv
    
Install apptainer
https://apptainer.org/docs/user/main/quick_start.html#quick-installation-steps
Make prediction for custom files directly
kipoi get-example DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL -o example
kipoi predict DeepBind/Homo_sapiens/RBP/D00216.001_RNAcompete_HNRPLL \
--dataloader_args='{"intervals_file": "example/intervals_file", "fasta_file": "example/fasta_file"}' \
-o 'DeepBind_Homo_sapiens_RBP_D00216.001_RNAcompete_HNRPLL.example_pred.tsv' \
--singularity 
# check the results
head DeepBind_Homo_sapiens_RBP_D00216.001_RNAcompete_HNRPLL.example_pred.tsv

Schema

Inputs

Single numpy array

Name: seq

    Shape: (101, 4) 

    Doc: DNA sequence


Targets

Single numpy array

Name: binding_prob

    Shape: (1,) 

    Doc: Protein binding probability


Dataloader

Defined as: kipoiseq.dataloaders.SeqIntervalDl

Doc: Dataloader for a combination of fasta and tab-delimited input files such as bed files. The dataloader extracts regions from the fasta file as defined in the tab-delimited `intervals_file` and converts them into one-hot encoded format. Returned sequences are of the type np.array with the shape inferred from the arguments: `alphabet_axis` and `dummy_axis`.

Authors: Ziga Avsec , Roman Kreuzhuber

Type: Dataset

License: MIT


Arguments

intervals_file : bed3+<columns> file path containing intervals + (optionally) labels

fasta_file : Reference genome FASTA file path.

num_chr_fasta (optional): True, the the dataloader will make sure that the chromosomes don't start with chr.

label_dtype (optional): None, datatype of the task labels taken from the intervals_file. Example: str, int, float, np.float32

use_strand (optional): reverse-complement fasta sequence if bed file defines negative strand. Requires a bed6 file

ignore_targets (optional): if True, don't return any target variables


Model dependencies
conda:
  • h5py=2.10.0
  • tensorflow=2.7.0
  • keras=2.7.0
  • python=3.7
  • bioconda::pysam=0.18.0
  • pip=20.2.4

pip:

Dataloader dependencies
conda:
  • bioconda::pybedtools
  • bioconda::pyfaidx
  • bioconda::pyranges
  • numpy
  • pandas

pip:
  • kipoiseq