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- easydock Public Forked from ci-lab-cz/easydock
Fully automated docking pipeline (can be run in distributed environments)
- myerson Public
A python package to calculate Myerson values from game theory and use them as explanations for graph neural networks.
- myerson_results Public
Proof-of-concept experiments to validate the us of Myerson values as XAI method for GNNs.
- Frontiers_MedChem Public
- GraphXAI Public Forked from mims-harvard/GraphXAI
GraphXAI: Resource to support the development and evaluation of GNN explainers
- smartdock Public
- intro_pharma_ai Public
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
- PADIF-wf Public
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