HOFNet

HOFNet Pretrained and Fine-tuned Model Checkpoints<br>This repository contains four `.ckpt` files corresponding to the pretrained and fine-tuned weights of the HOFNet model. These checkpoints are designed for solvent property prediction in hydrogen-bonded organic frameworks (HOFs).<br>Files Description<br>- <code><strong>pretrain_real_best.ckpt</strong></code>Pretrained weights using real HOF data only.<br>- <code><strong>pretrain_real_hofdiff_best.ckpt</strong></code>Pretrained weights using a hybrid dataset combining real HOF data and HOFDiff-generated synthetic data.<br>- <code><strong>real_best.ckpt</strong></code>Fine-tuned weights on the real HOF solvent dataset, based on `pretrain_real_best.ckpt`.<br>- <code><strong>real_hofdiff_best.ckpt</strong></code>Fine-tuned weights on the real HOF solvent dataset, based on `pretrain_real_hofdiff_best.ckpt`.<br>For usage and implementation details, please refer to the official HOFNet repository: https://github.com/wangtaoyang/HOFNet