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.
Snap can be installed from the command line on openSUSE Leap 15.x and Tumbleweed.
You need first add the snappy repository from the terminal. Choose the appropriate command depending on your installed openSUSE flavor.
Tumbleweed:
sudo zypper addrepo --refresh https://download.opensuse.org/repositories/system:/snappy/openSUSE_Tumbleweed snappy
Leap 15.x:
sudo zypper addrepo --refresh https://download.opensuse.org/repositories/system:/snappy/openSUSE_Leap_15.6 snappy
If needed, Swap out openSUSE_Leap_15. for, openSUSE_Leap_16.0 if you’re using a different version of openSUSE.
With the repository added, import its GPG key:
sudo zypper --gpg-auto-import-keys refresh
Finally, upgrade the package cache to include the new snappy repository:
sudo zypper dup --from snappy
Snap can now be installed with the following:
sudo zypper install snapd
You then need to either reboot, logout/login or source /etc/profile to have /snap/bin added to PATH.
Additionally, enable and start both the snapd and the snapd.apparmor services with the following commands:
sudo systemctl enable --now snapd
sudo systemctl enable --now snapd.apparmor
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.