openadmet/chemprop-foundation-pretraining-weights

Getting Started

Pre-requisites

IMPORTANT NOTE You will need git lfs installed.

Downloading the model weights

1. Clone the model repo:

git clone https://huggingface.co/openadmet/chemprop-foundation-pretraining-weights/

2. Change to the repo directory. Ensure you have git lfs installed for the repo and get the large model files:

git lfs install
git lfs pull

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Using the model weights

These are ChemProp pretraining model weights trained according to the specifications in this blog post.

To use these weights to train a model with anvil, follow the instructions in our documentation and set the from_chemeleon parameter in the anvil specification file to the file path of the model weights you want to use.