Skip to content

MolCraftDiffusion

MolCraftDiffusion

Getting Started

Installation

Tutorials

Tutorial 0: Data Preparation & Management
Tutorial 1: Training a Diffusion Model
Tutorial 2: Training a Regressor Model
Tutorial 3: Training a Time-Aware Guidance Model
Tutorial 4: Fine-Tuning a Diffusion Model
Tutorial 5: Molecule Generation Overview
Tutorial 6: Structure-Guided Generation
Tutorial 7: Property-Directed Generation
Tutorial 8: Prediction and Evaluation Modes
Tutorial 9: Analyze Module - 3D Molecular Structure Analysis

API Reference

API Reference
- MolecularDiffusion

MolecularDiffusion.data.valency_tables¶

MolecularDiffusion.molcraftdiff

MolecularDiffusion.data.dataset

Copyright © 2025, pregHosh

Made with Sphinx and @pradyunsg's Furo