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Added details on OpenVINO Go extension and 3 demo repos
Go Client User-Friendly Interface for Data Input: The Go client acts as a frontend that allows users (like chemists, researchers, or pharmacologists) to input multiple SMILES strings. This makes the system accessible to users who may not be familiar with the underlying computational complexity. Efficient Communication with Server: The client handles the communication with the Flask server, sending SMILES strings and receiving predictions and image paths. This setup decouples the user interface from the backend processing, allowing for independent scaling and updating of each component. Batch Processing Capability: By allowing the input of multiple SMILES strings, the Go client facilitates batch processing. This is beneficial in scenarios like drug discovery pipelines where numerous compounds need to be analyzed simultaneously. Displaying Predictions and Managing Visualizations: The Go client displays the lipophilicity predictions for each molecule and provides paths to their visual representations. This information is crucial for decision-making processes in chemical analysis and pharmaceutical research.
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The overarching aim is to create an efficient, user-friendly, and scalable system for molecular property prediction and visualization. This system can significantly aid in pharmaceutical research, particularly in the early stages of drug discovery where rapid screening of compounds based on their lipophilicity and structural analysis is vital. By combining the computational power and optimization of OpenVINO with the simplicity and accessibility of a Go client, the system bridges the gap between advanced computational chemistry and practical application in research environments. |
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Added details on OpenVINO Go extension and 3 demo repos