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1. MolCLR MolCLR Public

   Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.

   Python 294 70

2. iMolCLR iMolCLR Public

   Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in PyG.

   Python 19 3

3. apple/ml-simplefold apple/ml-simplefold Public

   Python 229 12

4. apple/ml-mcf apple/ml-mcf Public

   Python 40 6