@LPDI-EPFL
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Recently updated work from this developer
Multi-domain Distribution Learning for De Novo Drug Design
MaSIF-neosurf: surface-based protein design for ternary complexes.
A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design.
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
LigandMPNN with batched tied position input options - for multistate design with ligands
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