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

HOFNet预训练与微调模型检查点<br>本仓库包含四个.ckpt文件，对应HOFNet模型的预训练和微调权重。这些检查点旨在用于氢键有机框架（hydrogen-bonded organic frameworks, HOFs）中的溶剂性质预测。<br>文件描述<br>- <code><strong>pretrain_real_best.ckpt</strong></code>仅使用真实HOF数据预训练的权重。<br>- <code><strong>pretrain_real_hofdiff_best.ckpt</strong></code>使用真实HOF数据与HOFDiff生成的合成数据混合数据集预训练的权重。<br>- <code><strong>real_best.ckpt</strong></code>基于pretrain_real_best.ckpt，在真实HOF溶剂数据集上微调的权重。<br>- <code><strong>real_hofdiff_best.ckpt</strong></code>基于pretrain_real_hofdiff_best.ckpt，在真实HOF溶剂数据集上微调的权重。<br>有关使用方法和实现细节，请参考HOFNet官方仓库：https://github.com/wangtaoyang/HOFNet