MoFlow is a model for molecule generation that leverages Normalizing Flows. This implementation is an optimized version of the model in the original paper.
The following section lists the requirements that you need to meet to start training the MoFlow model.
Requirements
This repository contains a Dockerfile that extends the PyTorch 22.11 NGC container and encapsulates some dependencies. Aside from these dependencies, ensure you have the following components:
- NVIDIA Docker
- PyTorch 22.11+ NGC container
- Supported GPUs:
For more information about how to get started with NGC containers, refer to the following sections from the NVIDIA GPU Cloud Documentation and the Deep Learning Documentation:
- Getting Started Using NVIDIA GPU Cloud
- Accessing And Pulling From The NGC Container Registry
- Running [framework name - link to topic]
For those unable to use the [framework name] NGC container, to set up the required environment or create your own container, refer to the versioned NVIDIA Container Support Matrix.