/tools/MolCRAFT

MolCRAFT

GenSI-THUAIR/MolCRAFT

140 stars12 forksJupyter NotebookAdded February 4, 2026
summary

MolCRAFT is a series of projects aimed at developing deep learning models for structure-based drug design and molecule optimization. It introduces novel methodologies for generating molecules with high binding affinity and stable 3D conformations, addressing critical challenges in the field.

description

Official repository for MolCRAFT series

topics

3d-molecules-modelsbayesian-flow-networksmolecule-generationdrug-designdrug-discovery

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