Pinned Repositories
MolLM
A Unified Language Model to Integrate Biomedical Text with 2D and 3D Molecular Representations
Mole-BERT
[ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
GraphFP
Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)
PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
MGSSL
Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
zoey731's Repositories
zoey731/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology