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1. LoRA LoRA Public

   Forked from microsoft/LoRA

   Code for loralib, an implementation of "LoRA: Low-Rank Adaptation of Large Language Models"

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2. schnetpack schnetpack Public

   Forked from atomistic-machine-learning/schnetpack

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3. molecularGNN_smiles molecularGNN_smiles Public

   Forked from masashitsubaki/molecularGNN_smiles

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4. reor reor Public

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5. ABT-MPNN ABT-MPNN Public

   Forked from LCY02/ABT-MPNN

   An atom-bond transformer-based message passing neural network for molecular property prediction.

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6. mordred mordred Public

   Forked from mordred-descriptor/mordred

   a molecular descriptor calculator

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