v2.0.0

BioInsectiNet - Major Update Release

Overview

This release includes significant improvements and new features to enhance the prediction and generation capabilities of BioInsectiNet, as well as added functionalities for better compound evaluation and workflow automation.

Highlights

• Optimized Prediction and Generation Models
  Improved the affinity prediction and compound generation models for higher accuracy and faster training times.

• New Generation Examples
  Added diverse and realistic examples to better showcase the compound generation capabilities and facilitate testing.

• Enhanced Genetic Algorithm
  Made the genetic algorithm more robust and faster by refining mutation and selection strategies, accelerating convergence toward optimal compounds.

• Docking Algorithm Implementation
  Developed a docking algorithm to simulate and visualize interactions between target FASTA sequences and generated SMILES compounds, enabling structural quality assessment.

• Automated Pipeline
  Created a modular and fully automated pipeline allowing flexible execution of the workflow, either step-by-step or as a complete end-to-end process.

What's Changed

• Bump tensorflow from 2.12.0 to 2.12.1 by @dependabot[bot] in #6
• Bump keras from 2.11.0 to 2.13.1 by @dependabot[bot] in #7

Full Changelog: v1.0.1...v2.0.0

v1.0.1

· Bug fixes

· Improved code clarity and readability

Release v1.0.0

Initial Release