README.md · andrewt28/MolLM at main

metadata

datasets:
  - andrewt28/MolLM-dataset

MolLM: A Unified Language Model to Integrate Biomedical Text with 2D and 3D Molecular Representations

Model checkpoints for MolLM model.

The checkpoints for each downstream task can be found as follows (along with a summary of the contents of the top-level of each archive):

GraphTextRetrieval
- GraphTextRetrieval-model.zip
  - bert_pretrained
  - all_checkpoints
  - data
  - finetune_save
MoleculeCaption
- MoleculeCaption-model.zip
  - data
  - text2mol-data
  - M3_checkpoints
  - scibert
  - molt5-base-smiles2caption
  - molt5-small-smiles2caption
  - molt5-large-smiles2caption
MoleculeEditing
- MoleculeEditing-model.zip
  - bert_pretrained
  - checkpoints
  - embedding_data
  - model-epoch=507.ckpt
MoleculeGeneration
- MoleculeGeneration-model.zip
  - results
  - model-epoch=465.ckpt
  - qm9_64gnn_128-64lin_1-1mask_0d6noise_convlu1
MoleculePrediction
- MoleculePrediction-model.zip
  - all_checkpoints
  - dataset
  - model-epoch=507.ckpt