4 results found Sort:

shehzaidi
pre-training-via-denoising shehzaidi
13
87
mit
1
Official implementation of pre-training via denoising for TorchMD-NET
pytorch denoising pre-training deep-learning score-matching molecular-structures graph-neural-networks denoising-autoencoders molecular-property-prediction
Created 2022-08-10
21 commits to main branch, last one about a year ago
affjljoo3581
Samsung-AI-Challenge-for-Scientific-Discovery affjljoo3581
7
54
apache-2.0
1
🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
dacon wandb deberta pubchem pytorch samsung molecular pubchemqc competition transformer deep-learning pytorch-lightning molecular-structures molecular-property-prediction
Created 2021-11-12
4 commits to main branch, last one 3 years ago
liugangcode
GREA liugangcode
6
36
mit
3
[KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
rationalization graph-neural-networks polymer-property-prediction molecular-property-prediction interpretability-and-explainability
Created 2022-05-31
13 commits to main branch, last one 6 months ago
LCY02
ABT-MPNN LCY02
10
34
mit
2
An atom-bond transformer-based message passing neural network for molecular property prediction.
mpnn attention-mechanism molecular-property-prediction
Created 2022-08-14
7 commits to master branch, last one about a year ago