Rafael Josip Penić1,
Tin Vlašić2,
Roland G. Huber3,
Yue Wan2,
Mile Šikić2
1Faculty of Electrical Engineering and Computing, University of Zagreb, Croatia
2Genome Institute of Singapore (GIS), Agency for Science, Technology and Research (A*STAR), Singapore
3Bioinformatics Institute (BII), Agency for Science, Technology and Research (A*STAR), Singapore
This is the official implementation of the paper "RiNALMo: General-Purpose RNA Language Models Can Generalize Well on Structure Prediction Tasks".
Ribonucleic acid (RNA) plays a variety of crucial roles in fundamental biological processes. Recently, RNA has become an interesting drug target, emphasizing the need to improve our understanding of its structures and functions. Over the years, sequencing technologies have produced an enormous amount of unlabeled RNA data, which hides important knowledge and potential. Motivated by the successes of protein language models, we introduce RiboNucleic Acid Language Model (RiNALMo) to help unveil the hidden code of RNA. RiNALMo is the largest RNA language model to date with 650 million parameters pre-trained on 36 million non-coding RNA sequences from several available databases. RiNALMo is able to extract hidden knowledge and capture the underlying structure information implicitly embedded within the RNA sequences. RiNALMo achieves state-of-the-art results on several downstream tasks. Notably, we show that its generalization capabilities can overcome the inability of other deep learning methods for secondary structure prediction to generalize on unseen RNA families.
Use following commands for the installation (Prerequisites: Python>=3.8 and CUDA>=11.8):
git clone https://github.com/lbcb-sci/RiNALMo
cd RiNALMo
pip install .
pip install flash-attn==2.3.2After installation you can easily use RiNALMo to obtain nucleotide representations:
import torch
from rinalmo.pretrained import get_pretrained_model
DEVICE = "cuda:0"
model, alphabet = get_pretrained_model(model_name="giga-v1")
model = model.to(device=DEVICE)
model.eval()
seqs = ["ACUUUGGCCA", "CCCGGU"]
tokens = torch.tensor(alphabet.batch_tokenize(seqs), dtype=torch.int64, device=DEVICE)
with torch.no_grad(), torch.cuda.amp.autocast():
outputs = model(tokens)
print(outputs["representation"])- Clone the repo.
git clone https://github.com/lbcb-sci/RiNALMo
cd RiNALMo- Create conda environment. All external dependencies should be contained in
environment.yml.
# create conda environment for RiNALMo
conda env create -f environment.yml
# activate RiNALMo environment
conda activate rinalmo- Download pre-trained weights.
mkdir weights
cd weights
wget https://zenodo.org/records/10725749/files/rinalmo_giga_pretrained.pt- Download fine-tuned weights.
# Download fine-tuned weights for secondary structure prediction.
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-16s_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-23s_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-5s_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-srp_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-grp1_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-telomerase_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-tmRNA_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-tRNA_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_archiveII-RNaseP_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_ss_bprna_ft.pt
# Download fine-tuned weights for splice-site prediction.
wget https://zenodo.org/records/10725749/files/rinalmo_giga_splice_acceptor_ft.pt
wget https://zenodo.org/records/10725749/files/rinalmo_giga_splice_donor_ft.pt
# Download fine-tuned weights for mean ribosome loading prediction.
wget https://zenodo.org/records/10725749/files/rinalmo_giga_mrl_ft.pt
cd ..We provide pre-trained RiNALMo weights and fine-tuned weights for three downstream tasks: mean ribosome loading prediction, secondary structure prediction and splice-site prediction.
For both evaluation and fine-tuning use train_<downstream_task>.py scripts.
In order to evaluate the provided fine-tuned RiNALMo models and prediction heads, please run the scripts using the following input arguments:
# skip fine-tuning and run the evaluation on the test set
--test_only
# path to the '.pt' file containing fine-tuned model weights
--init_params
# dataset on which you would like to evaluate the fine-tuned model
--dataset
# download and prepare data (if needed)
--prepare_data
# Directory that will contain or already contains training, validation and test data
data_dir
# directory for all the output files
--output_dirTo evaluate the fine-tuned RiNALMo model and prediction head on archiveII 5S rRNA test dataset for secondary structure prediction, use the rinalmo_giga_ss_archiveII-5s_ft.pt weights. Here, we provide an example run command.
python train_sec_struct_prediction.py ./ss_data --test_only --init_params ./weights/rinalmo_giga_ss_archiveII-5s_ft.pt --dataset archiveII_5s --prepare_data --output_dir ./outputs/archiveII/5s/ --accelerator gpu --devices 1
In order to fine-tune RiNALMo, use --pretrained_rinalmo_weights ./weights/rinalmo_giga_pretrained.pt input argument. Use --help to learn about other available arguments. For the splice-site prediction task, the dataset and data preprocessing code are available at https://git.unistra.fr/nscalzitti/spliceator.git.
Copyright 2024 Šikić Lab - AI in Genomics
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, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.
The RiNALMo parameters are made available under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0) license. You can find details at: https://creativecommons.org/licenses/by/4.0/legalcode.
If you find our work useful in your research, please cite:
@article{penic2024_rinalmo,
title={RiNALMo: General-Purpose RNA Language Models Can Generalize Well on Structure Prediction Tasks},
author={Penić, Rafael Josip and Vlašić, Tin and Huber, Roland G. and Wan, Yue and Šikić, Mile},
journal={arXiv preprint arXiv:2403.00043},
year={2024}
}If you have any questions, please feel free to email the authors or open an issue.
This work was supported in part by the National Research Foundation (NRF) Competitive Research Programme (CRP) under Project Identifying Functional RNA Tertiary Structures in Dengue Virus (NRF-CRP27-2021RS-0001) and in part by the A*STAR under Grant GAP2: A*STAR RNA-Foundation Model (A*STAR RNA-FM) (I23D1AG079).
The computational work for the paper was partially performed on resources of the National Supercomputing Centre, Singapore https://www.nscc.sg.