Related Issues (19)
- Affinity prediction via a complex structure? HOT 7
- EGNN re-training HOT 2
- binding affinity embedding dimesion issue HOT 2
- in case of my own binding complex HOT 5
- A Bug with the Estimation of Pocket Size HOT 2
- Questions about pretrained models.
- Jensen-Shannon divergence
- the error while running sample_for_pocket
- how to get the batch.ligand_element_batch
- This work is very meaningful, but the code implementation is very poor
- result to mol?
- settings in training.yml
- FileNotFoundError: [Errno 2] No such file or directory: './data/crossdocked_v1.1_rmsd1.0_pocket10/index.pkl' HOT 1
- The dimension of time embedding HOT 1
- Reopening issue of not having pocket10 files for training HOT 1
- ZeroDivisionError in evaluation HOT 20
- 如何对在对指定的一个口袋进行采样后将结果转换为sdf文件? HOT 1
- Issue with Vina Docking During Molecule Evaluation
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