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@emapco emapco released this 05 Jun 01:40
· 1 commit to main since this release

Chem-MRL library is now built on sentence-transformers v4.0.0 API and uses datasets library for loading data from local files or Hugging Face Hub. sentence-transformers library supports checkpoint resuming and extends transformers.Trainer and transformers.TrainingArguments for enhanced training capabilities. Modify training arguments in chem_mrl/conf/base.yaml:training_args when using Hydra-enabled training scripts.

The PubChem 10M GenMol Fingerprint Similarity Dataset is available on Hugging Face Hub for training Chem-MRL models.