/tools/MolCraftDiffusion

MolCraftDiffusion

pregHosh/MolCraftDiffusion

10 stars2 forksPythonAdded February 4, 2026
summary

MolCraftDiffusion is a unified generative-AI framework that facilitates the training and deployment of 3D molecular diffusion models for various molecular generation tasks. It supports property-targeted generation and provides tools for analyzing and optimizing generated molecules.

description

A 3D Molecular Generation Framework for Data-driven Molecular Applications.

topics

diffusionmolecular-designmoleculesaicheminformaticschemistrydenovo-designdrug-designdrug-discoverygenerative-aimolecular-generationmolecular-generative-models

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