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Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]
License: MIT License
🎓 I recently earned my Ph.D. degree in Computer Science from Zhejiang University in June 2024.
🌐 Do visit my personal homepage for more insights into my work.
Wishing you a fantastic day! 🥰
这是一项有意义的研究,期待代码和数据的更新~
作者您好,我又来请教问题了- - 您在readme中Knowledge feature initialization部分提到如果想要自己训练,可以运行code/initial 的load.py,但是在该文件中是通过36行代码:
relation_emb, entity_emb = load('RotatE_128_64.pkl', total_entity2id=data.entity2id, total_relation2id=data.relation2id, e_dim=128, r_dim=64)
实现的,而这里的'RotatE_128_64.pkl'文件本身就包含了您使用化学周期表初始化的嵌入值,如下图
请问您能给出获得'RotatE_128_64.pkl'这个文件的例子吗,entity和relation的值是怎么得到的呢?
您好,在数据预处理阶段,运行data/graph_utils.py 应该会得到8.58G的mdb文件,但是我使用您最新的代码获得的mdb文件只有2.41G,数据量远远小于你之前的数据,请问这是什么原因呢?
Please provide the code and data asap.
The KEY python script pretrain.py
is missing.
I found a file named pretrain.py
in code/data/pretrain.py. But obviously, it is not the one for pre-training the model.
In addition, could you provide the pre-trained model weightSet2Set_0910_2302_78000th_epoch.pkl
so that I can start with fine-tuning?
Line 8 in 004f568
Status as of today:
Releases
No releases published
please provide code and data
Thanks for making the code (and data) available. Github now only provides a zip file to download if the code is released. Please release the code. Thanks.
里面的Set2Set和weightedsum是什么模型
Please release asap. It has been four months since your paper was published. Time is of essence. Thanks!
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