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qsar-modeling

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Cheme-Nova / IntelliForm

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IntelliForm — Open-source Agentic AI platform for sustainable green chemistry formulations. Natural language → RDKit-powered optimization → ChemRich NJ pilot ready. Contributions warmly welcome from chemists, ML engineers & sustainability builders! 🚀 ChemeNova × ChemRich Global

cheminformatics chemical-engineering rdkit multi-objective-optimization material-science regulatory-intelligence supabase agentic-ai qsar-modeling pareto-optimization green-chemistry sustainability-scoring
  • Updated Jun 13, 2026
  • Python

sukumarfineartphoto-hash / TAE-RECON6

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Transferable Atom Equivalent Reconstruction (TAE-RECON) rapidly generates quantum-chemistry-derived molecular descriptors assembled from a pre-computed Transferable Atom Equivalent database of atomic electron-density fragments, skipping time-consuming ab initio calculations, without running a new quantum calculation for each molecule.

quantum-chemistry atoms-in-molecules molecular-descriptors qsar-modeling
  • Updated Jun 20, 2026
  • Python

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