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tiwarylab
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GrASP
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
MIT License
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Fixes for Google Colab.
#1
Closed
Michael-C-Strobel
closed
1 year ago
Michael-C-Strobel
commented
1 year ago
Add Google Colab specific environments
Silence MDTraj userwarnings
Add option to skip hydrogen cleaning for production parsing