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1. DeepDrug3D DeepDrug3D Public

   A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.

   Python 99 32

2. eToxPred eToxPred Public

   A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.

   Python 40 16

3. CancerOmicsNet CancerOmicsNet Public

   A Graph Neural Network Model for prediction of the effectiveness of a drug on a given cancer cell lines

   Python 16 4

4. Seq2Karyotype Seq2Karyotype Public

   Forked from chenlab-sj/Seq2Karyotype

   Seq2Karyotype (S2K) is an innovative algorithm for analyzing copy number alterations (CNAs) using single-sample whole-genome sequencing (WGS) data. It overcomes limitations of traditional methods b…

   Python 1

5. Useful_GNN_models Useful_GNN_models Public

   Some useful GNN models

   Python 1

6. 3D-deep-learning 3D-deep-learning Public

   Python 5