Projects in Awesome Lists tagged with molecular-property-prediction
A curated list of projects in awesome lists tagged with molecular-property-prediction .
https://github.com/hicai-zju/gs-meta
Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]
few-shot-learning meta-learning molecular-property-prediction
Last synced: 13 Jan 2025
https://github.com/aspirincode/iupacgpt
IUPAC-based large-scale molecular pre-trained model for property prediction and molecular generation
gpt iupac molecular-property-prediction transformer
Last synced: 01 Dec 2024
https://github.com/maxischuh/twinbooster
Package for TwinBooster. Enables fast and powerful zero-shot molecular property prediction.
cheminformatics chemistry large-language-models machine-learning molecular-property-prediction molecule
Last synced: 08 Feb 2025
https://github.com/dohlee/samsung-ai-challenge-solution
⚗️ Samsung AI Challenge for Scientific Discovery 5위 솔루션입니다.
challenge dacon molecular-property-prediction molecule quantum-chemistry solution
Last synced: 06 Apr 2025
https://github.com/sanjaradylov/sparse-cheml
Molecular-property prediction with sparsity
computational-chemistry elastic-net group-lasso molecular-property-prediction sparse-group-lasso sparsity
Last synced: 22 Feb 2025
https://github.com/hfooladi/alinemol
Exploring performance of machine learning model on out of distribution data in chemical domain
cheminformatics generalization molecular-property-prediction out-of-distribution
Last synced: 03 Mar 2025
https://github.com/shahram-boshra/g_reg_qm9
Molecular Graphs QM9 Graph-level Regression GNN
chemical-informatics deep-learning gnn graph-convolutional-networks graph-level-regression graph-neural-networks machine-learning molecular-graphs molecular-property-prediction python pytorch pytorch-geometric qm9-dataset rdkit rdkit-chem
Last synced: 13 Apr 2025
