shamim-hussain / tgt Goto Github PK
View Code? Open in Web Editor NEWTriplet Graph Transformer
License: MIT License
Triplet Graph Transformer
License: MIT License
Hi authors,
Thank you for open-sourcing this cool work! I want to try your models with the provided checkpoints. Could you further provide complete instructions for reproducing the results (e.g., 0.0671 eV/MAE on a valid set) on the OGB-LSC leaderboard with the available checkpoints?
Looking forward to your reply!
Best
Hi,
I want to ask how should I finetune this model so that I can use it for other tasks? like instead of use for gap predictor, I want to predict the solubility, what is the training progress for it? Should I start with pretraining the predictor or I just need to do the finetune stage?
In the "More About Training" section of your README.md, it mentions:
"# Stage 4 - Do final evaluation (and trim the model by removing the denoising head)
python run configs/pcqm/tgt_at_200m/gap_pred/tgt_at_tp_rdkit.yaml"
Is this a correct Python command? Do you mean by that:
python run_training.py configs/pcqm/tgt_at_200m/gap_pred/tgt_at_tp_rdkit.yaml
?
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