Drutai is a deep learning–based framework for predicting interactions between small molecule drugs and protein targets. And this is a high-performance drug-target interaction prediction tool using ONNX models, with easier installation, higher performance as well as less dependency requirements . It supports multiple deep learning architectures including LSTMCNN, CNN, ConvMixer64, DSConv, MobileNetV2, ResNet18, and SEResNet.
Usage (single-table mode, recommended):
drutai.predict -m lstmcnn
-i input.tsv
-t fasta_dir/
-o output.drutai
Usage (legacy mode, compatible with original drutai format):
drutai.predict -m lstmcnn
--br relations.txt
--smile smiles.txt
-t fasta_dir/
-o output.drutai
Arguments: -m MODEL Model name (default and recommended: lstmcnn) -i INPUT Single-table TSV input (columns: sm, target, smile) --br FILE [Legacy] Drug-protein relation file (columns: sm, target) --smile FILE [Legacy] Drug SMILES file (columns: sm, smile) -t FASTA_DIR Directory containing per-target .fasta files -o OUTPUT Output file (default: predictions_onnx.drutai) -j THREADS Number of threads for feature extraction (default: all CPUs)
Available models: lstmcnn, cnn, convmixer64, dsconv, mobilenetv2, resnet_prea18_tf2, scaresnet
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Snaps are applications packaged with all their dependencies to run on all popular Linux distributions from a single build. They update automatically and roll back gracefully.
Snaps are discoverable and installable from the Snap Store, an app store with an audience of millions.
On Debian 9 (Stretch) and newer, snap can be installed directly from the command line:
sudo apt update
sudo apt install snapd
After this, install the snapd snap in order to get the latest snapd:
sudo snap install snapd
To install drutai, simply use the following command:
sudo snap install drutai
Browse and find snaps from the convenience of your desktop using the snap store snap.
Interested to find out more about snaps? Want to publish your own application? Visit snapcraft.io now.