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9 public repositories
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Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.
Updated
May 26, 2026
Python
Multi- and many-objective optimization in the latent space of generative chemistry models.
Updated
Mar 6, 2025
Python
Iambic Therapeutics — AI drug discovery (clinical-stage pipeline)
Recursion Pharmaceuticals — AI-enabled drug discovery (Recursion OS, BioHive)
XtalPi — AI/quantum-physics drug discovery platform
Exscientia — AI-driven drug design (Centaur Chemist, EVE); acquired by Recursion Pharmaceuticals Nov 2024
Insilico Medicine — AI-driven drug discovery and development
Generation of molecules with optimized property using bayesian optimization
Updated
Apr 6, 2025
Jupyter Notebook
Generation of molecules with a GAN
Updated
Apr 7, 2025
Jupyter Notebook
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