Topic: molecular-property-prediction Goto Github
Some thing interesting about molecular-property-prediction
Some thing interesting about molecular-property-prediction
molecular-property-prediction,This repository is a brief tutorial about how Graph convolutional networks and message passing networks work with example code demonstration using pytorch and torch_geometric
User: abdullah-al-masud
molecular-property-prediction,🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇
User: affjljoo3581
Home Page: https://dacon.io/competitions/official/235789/leaderboard
molecular-property-prediction,Pretraining Techniques for Graph Transformers
User: alexanderkrauck
molecular-property-prediction,Collection of Machine Learning and GNN methods for Molecular Property Prediction Task
User: amirjlr
molecular-property-prediction,IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation
User: aspirincode
molecular-property-prediction,3rd place solution for 2022 Samsung AI Challenge (Materials Discovery)
User: danyeonglee
molecular-property-prediction,⚗️ Samsung AI Challenge for Scientific Discovery 5위 솔루션입니다.
User: dohlee
molecular-property-prediction,[ICML 2023] Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
User: gmh14
Home Page: https://proceedings.mlr.press/v202/guo23h.html
molecular-property-prediction,An efficient curriculum learning-based strategy for molecular graph learning
User: gu-yaowen
molecular-property-prediction,Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]
Organization: hicai-zju
molecular-property-prediction,Samsung AI Challenge for Scientific Discovery, Samsung Advanced Institute of Technology and Dacon, ~2021.09.27
User: hiddenbeginner
molecular-property-prediction,KDD-23 Automated 3D Pre-Training for Molecular Property Prediction
Organization: lars-research
molecular-property-prediction,PACIA: Parameter-Efficient Adapter for Few-Shot Molecular Property Prediction. IJCAI 2024
Organization: lars-research
Home Page: https://arxiv.org/pdf/2310.00614
molecular-property-prediction,An atom-bond transformer-based message passing neural network for molecular property prediction.
User: lcy02
molecular-property-prediction,Predict optical properties of molecules with machine learning.
Organization: learningmatter-mit
molecular-property-prediction,[KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
User: liugangcode
Home Page: https://arxiv.org/abs/2206.02886
molecular-property-prediction,Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints
User: markusferdinanddablander
Home Page: https://arxiv.org/abs/2403.17954
molecular-property-prediction,Exploring QSAR Models for Activity-Cliff Prediction
User: markusferdinanddablander
Home Page: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-023-00708-w
molecular-property-prediction,Package for TwinBooster. Enables fast and powerful zero-shot molecular property prediction.
User: maxischuh
Home Page: https://doi.org/10.1021/acs.jcim.4c00765
molecular-property-prediction,The code base for AWARE, a graph representation learning method published at TMLR
User: mehmetfdemirel
Home Page: https://openreview.net/forum?id=TWSTyYd2Rl
molecular-property-prediction,Machine learning for molecular property prediction
User: mrodobbe
molecular-property-prediction,Molecular-property prediction with sparsity
User: sanjaradylov
molecular-property-prediction,Official implementation of pre-training via denoising for TorchMD-NET
User: shehzaidi
molecular-property-prediction,The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.
User: taoshen99
molecular-property-prediction,Graduation Design
User: vegetationn
molecular-property-prediction,Code for The Catalyst Deep Neural Networks (Cat-DNNs) in Singlet Fission Property Prediction
User: xi-lab
molecular-property-prediction,MUBen: Benchmarking the Uncertainty of Molecular Representation Models
User: yinghao-li
Home Page: https://yinghao-li.github.io/MUBen/
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