--- title: Predicting Molecular Binding Affinity with Boltz-2 description: Boltz-2 is an open-source AI model from MIT that predicts 3D molecular structures and binding affinity for drug discovery. It handles diverse biomolecular... canonical: https://daily.dev/posts/predicting-molecular-binding-affinity-with-boltz-2-hwaiebozr twitter:card: summary_large_image twitter:site: @dailydotdev og:type: website og:site_name: daily.dev og:title: Predicting Molecular Binding Affinity with Boltz-2 | daily.dev og:description: Boltz-2 is an open-source AI model from MIT that predicts 3D molecular structures and binding affinity for drug discovery. It handles diverse biomolecular... og:url: https://daily.dev/posts/predicting-molecular-binding-affinity-with-boltz-2-hwaiebozr og:image: https://api.daily.dev/og/posts/hWaIEbozr.png og:image:alt: Predicting Molecular Binding Affinity with Boltz-2 og:image:width: 1200 og:image:height: 630 og:locale: en --- > ## Documentation Index > Fetch the complete documentation index at: https://daily.dev/llms.txt > Use this file to discover all available pages before exploring further. # Predicting Molecular Binding Affinity with Boltz-2 **[DigitalOcean Community](https://daily.dev/sources/do_community)** · 8 min read · 0 upvotes · 0 comments ## Summary Boltz-2 is an open-source AI model from MIT that predicts 3D molecular structures and binding affinity for drug discovery. It handles diverse biomolecular systems including protein-ligand complexes, DNA/RNA, and small molecules. The model approaches the accuracy of gold-standard Free-Energy Perturbation methods while being computationally efficient enough for large-scale virtual screening. Boltz-2 incorporates physics-based potentials through Boltz-steering to improve physical plausibility. The tutorial demonstrates setting up Boltz-2 on DigitalOcean GPU Droplets, running predictions using YAML configuration files, and interpreting the output structures and confidence scores. ## Full article daily.dev links to this article rather than hosting it. 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