/project-blog/ersilia-reinvent4

REINVENT4 in the Ersilia Hub

Packaging generative chemistry models for open drug discovery

Packaged and optimized REINVENT 4 models for the Ersilia Model Hub, then explored 3D molecular generation by transfer learning Mol2MolSimilarity to produce molecules with similar shape.

7 Aug 2026Contributor
  • Open science
  • Machine learning
  • Cheminformatics

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