ikmckenz/target-pred-py

Issues

• No data?

  #35 opened 3 months ago by watermountain222
  2

• Something wrong with memory

  #34 opened 2 years ago by Zzz233
  1

• Replace "yoursmilesstring" with a valid SMILES string

  #22 opened 4 years ago by jonlandrum
  2

• Neural Net predict top doesn't return correct number of entries

  #31 opened 4 years ago by ikmckenz
  1

• Add flag to training script to use full dataset

  #29 opened 4 years ago by ikmckenz
  1

• Filter out promiscuous compunds

  #13 opened 5 years ago by ikmckenz
  1

• Create a wrapper script for running the program

  #23 opened 4 years ago by jonlandrum
  1

• Add parameter to make_dataset.py for running with parameterized pref_name count

  #24 opened 4 years ago by jonlandrum
  1

• Do full hyperparameter search

  #28 opened 4 years ago by ikmckenz
  0

• Make neural net hyperparameters controllable

  #27 opened 4 years ago by ikmckenz
  0

• Refactor model class to use an abstract base class

  #25 opened 4 years ago by ikmckenz
  0

• Remove unused class

  #20 opened 4 years ago by jonlandrum
  0

• Improve RandomForestClassifier model parameters

  #4 opened 4 years ago by ikmckenz
  2

• Experiment with different classifier models

  #18 opened 4 years ago by ikmckenz
  1

• Use Batch Learning on classifier

  #16 opened 4 years ago by ikmckenz
  1

• Parallelize feature generation

  #7 opened 4 years ago by ikmckenz
  0

• Describe SuperPred in the README

  #14 opened 4 years ago by ikmckenz
  1

• Describe # tree impact on top 5 accuracy score

  #15 opened 4 years ago by ikmckenz
  1

• Add "top five" accuracy

  #11 opened 5 years ago by ikmckenz
  0

• More features

  #10 opened 5 years ago by ikmckenz
  1

• ChEMBL conflicting single bond directions

  #6 opened 5 years ago by ikmckenz
  0

• Group targets in data cleaning

  #8 opened 5 years ago by ikmckenz
  0

• Move to ChEMBL 25

  #3 opened 5 years ago by ikmckenz
  0

• Implement Swiss Predict query of ChEMBL

  #1 opened 5 years ago by ikmckenz
  0