AoyuJiao/DeepPose: Release v1.0.0: Initial Public Release - The Edge Computing Milestone

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Authors: AoyuJiao
Cited by: 0

Abstract

We are excited to announce the first official release of DeepPose, an integrated high-performance platform for protein-ligand docking. This version, v1.0.0-WSL2-Workstation, is specifically optimized for Windows users, providing a seamless "Edge Computing" experience with native Linux performance. πŸ“– Documentation & Manual The User Manual contains detailed hardware requirements, installation guides, and automated workflow tutorials. Download DeepPose User Manual (PDF) πŸŽ“ How to Cite As the formal academic manuscript for DeepPose is currently in preparation, please cite this project as follows if it contributes to your research: Jiao, A. DeepPose: An integrated high-performance platform for protein-ligand docking (Version 1.0.0). GitHub: [Your Repository Link], 2026. πŸš€ Key Features Integrated Multi-Scale Architecture: Unified environment supporting everything from local workstations to HPC clusters. Deep Learning Powered Engines: FABind: End-to-end geometric deep learning for rapid binding pose prediction. GNINA 1.3: Advanced CNN-based scoring with knowledge distillation. Protein Language Support: Built-in ESM-2 (650M) model for robust generalization. Research Safety Locks: Immutable core assets using chattr +i to ensure Bit-level reproducibility. πŸ›  Installation & Distribution To deploy this release, you need the .tar workstation image. [!IMPORTANT] Physical Distribution Notice: Due to the massive size of the workstation image (60GB+), it is not suitable for direct network distribution. Users may apply for a physical USB drive containing the pre-packaged image by contacting the developer at bg2gcx@foxmail.com. Once you have the image file, import it into WSL2: wsl --import DeepPose_v1 πŸ“„ License This distribution is licensed under the GNU General Public License v2.0 (GPL v2.0). Full Changelog: https://github.com/AoyuJiao/DeepPose/commits/v1.0.0

Fields of Study & Subjects

Computational Drug Discovery Methods Protein Structure and Dynamics Machine Learning in Bioinformatics

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
15 March 2026
Language
EN