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MolCraftDiffusion

Getting Started

Installation
Model Architectures

Tutorials

Tutorials

Applications

Applications
Application: Local Chemical Space Exploration
Application: Library Design with Structure-Directed Generation
Application: Inverse Design

Workflows

Workflows
Workflow Example: Generate and Filter
Workflow Example: Transfer Learning and Generate
Workflow Example: Conditioned Generation
Workflow Example: End-to-End Design Loop
Workflow: Visualize the Generated Chemical Space

Configuration Templates

Configuration Templates

API Reference

API Reference
- MolecularDiffusion

MolecularDiffusion.modules.layers.esen.nn¶

Submodules¶

MolecularDiffusion.modules.layers.esen.nn.activation
MolecularDiffusion.modules.layers.esen.nn.embedding
MolecularDiffusion.modules.layers.esen.nn.gaussian_embedding
MolecularDiffusion.modules.layers.esen.nn.layer_norm
MolecularDiffusion.modules.layers.esen.nn.radial
MolecularDiffusion.modules.layers.esen.nn.rank2
MolecularDiffusion.modules.layers.esen.nn.so2_layers
MolecularDiffusion.modules.layers.esen.nn.so3_layers
MolecularDiffusion.modules.layers.esen.nn.utils

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MolecularDiffusion.modules.layers.esen.nn
- Submodules