Comments (2)
You can get the datasets via links in the guacamol repository.
from molecule-generation.
Thank you very much! @kmaziarz
from molecule-generation.
Related Issues (20)
- Help in finetuning generator HOT 5
- Sample molecules based on a specific scaffold HOT 1
- Improve and clean up the visualisers
- M1 Mac problem HOT 2
- Pre-training model download link failed HOT 6
- How does decode can return multiple similar molecules? HOT 2
- Motif embeddings HOT 2
- Clarification: correct_edge_choices is array of all zeros, while valid_edge_choices has a few candidates HOT 3
- Script for recreating evaluation scores on Guacamol benchmark HOT 14
- Query about data split! HOT 1
- Question about node_type_predictor_class_loss_weight_factor HOT 2
- how can i generate large SMILES ? for example generate 100000000? HOT 1
- IndexError: pop from empty list HOT 11
- Data Preprocessing HOT 1
- Warning when using Load_model_from_directory(dir) HOT 1
- Tensorflow warnings when using encode HOT 5
- Large amount of error messages when using decode HOT 5
- libdevice not found during training using default conda environment on Ubuntu 22.04.2 with a RTX A4000 HOT 4
- Computing likely next actions HOT 3
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from molecule-generation.