Pinned Repositories
AugLiChem
Graphene-RL
Hagen-Poiseuille-Flow-with-LSTM
Tutorial on using LSTM to predict Hagen-Poiseuille flow
Crystal-Twins
catgym
Surface segregation using Deep Reinforcement Learning
Denoise-Pretrain-ML-Potential
Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyTorch.
iMolCLR
Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in PyG.
MolCLR
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
yuyangw.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
MOFormer
Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
yuyangw's Repositories
yuyangw/MolCLR
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
yuyangw/iMolCLR
Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in PyG.
yuyangw/Denoise-Pretrain-ML-Potential
Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyTorch.
yuyangw/yuyangw.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics