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yuyangw.github.io Public
Forked from alshedivat/al-folioA beautiful, simple, clean, and responsive Jekyll theme for academics
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MolCLR Public
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
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Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyTorch.
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iMolCLR Public
Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in PyG.
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