ATOMScience-org/AMPL

Issues

• Handle the case when split subsets is empty

  #343 opened 2 months ago by mauvais2
  1

• Misc Linter Finding Fixes

  #351 opened 2 months ago by mauvais2
  2

• external_training_data option is broken in predict_from_model_file

  #353 opened 3 months ago by mcloughlin2
  0

• plot_pred_vs_actual not working for multitask models

  #332 opened 3 months ago by rwilfong
  2

• Need a better way to control log message verbosity than 'verbose' parameters

  #341 opened 3 months ago by mcloughlin2
  0

• xgboost and RF models should support class balancing weights in loss function

  #318 opened 4 months ago by mcloughlin2
  1

• Put Estimate Runtime for Each Tutorial

  #307 opened 4 months ago by mauvais2
  1

• Support early stopping in xgboost models

  #315 opened 4 months ago by mcloughlin2
  0

• Hyperopt search should allow optimizing on any metric, not just r2_score or roc_auc

  #314 opened 4 months ago by mcloughlin2
  0

• ECFP4 fingerprints fail to distinguish some very different molecules

  #311 opened 4 months ago by mcloughlin2
  1

• Mixed use of Morgan and ECFP fingerprints

  #310 opened 4 months ago by paulsonak
  3

• Provide Links to Keywords in AMPL Tutorials

  #305 opened 5 months ago by mauvais2
  0

• Tutorial notebook 01_Exploring_Target_Activity_ExcapeDB.ipynb errs generating a diversity plot

  #218 opened 5 months ago by bmoxon
  2

• Inference from a multiclass classification model

  #224 opened 5 months ago by mmagithub
  2

• Expected passes/fails for advanced testing

  #227 opened 5 months ago by jonesse3
  2

• Confusion matrix metrics for multi- vs single-task models

  #275 opened 5 months ago by paulsonak
  2

• plot_pred_vs_actual doesn't handle missing values correctly

  #283 opened 5 months ago by mcloughlin2
  0

• MOE svl scripts

  #291 opened 6 months ago by stewarthe6
  0

• problems installing AMPL V1.6.0

  #279 opened 6 months ago by SeanTBlack
  2

• featurization results in fragmented dataframe

  #264 opened 7 months ago by paulsonak
  1

• Silent bug in pretrained feature usage

  #237 opened 7 months ago by paulsonak
  1

• Training a model on the entire data sets

  #226 opened 7 months ago by mmagithub
  1

• Examples link not working properly

  #270 opened 7 months ago by ohashin2
  1

• convert_IC50_to_pIC50 doesn't convert relations

  #255 opened 7 months ago by mcloughlin2
  2

• Update performance plots to work after pipeline object is destroyed

  #254 opened 9 months ago by paulsonak
  0

• Featurization affects scaffold split

  #253 opened 10 months ago by stewarthe6
  1

• compare_models.get_filesystem_perf_results() retrieved metadata and performance metrics from deleted models

  #252 opened a year ago by Hokiee
  2

• pandas error : AttributeError: 'DataFrame' object has no attribute 'append'

  #234 opened a year ago by kyleoconnell-NIH
  4

• TypeError: load() missing 1 required positional argument: 'Loader'

  #231 opened a year ago by msherekar
  7

• Cannot run with google colab

  #229 opened a year ago by xianyu0623
  1

• Confusing wording in install instructions

  #219 opened 2 years ago by stewarthe6
  1

• integrative test test_filesystem_perf_results.py::test_AttentiveFP_results fails with GPU memory error on AzureML NC6sv2 compute SKU

  #217 opened 2 years ago by bmoxon
  1

• Xgboost training problem

  #193 opened 2 years ago by samiur130
  10

• Usage example incomplete or unclear

  #198 opened 2 years ago by estahlberg
  0

• Examples link not working in main documentation

  #197 opened 2 years ago by estahlberg
  1

• Unable to compute tutorial delaney_NN

  #199 opened 2 years ago by estahlberg
  0

• Error in Ample library import

  #178 opened 2 years ago by samiur130
  2

• checkpoint reading error

  #177 opened 2 years ago by mmagithub
  5

• Failed to make setup to run dgl model

  #139 opened 2 years ago by rankovicmiona
  5

• ValueError: y has more than n_class unique elements.

  #173 opened 2 years ago by mmagithub
  11

• Error running the Delaney_Example

  #118 opened 2 years ago by SeanTBlack
  1

• Are there any examples of TensorFlow models?

  #16 opened 3 years ago by tonyreina
  1

• AD domain calculation does not work on a model shared from elsewhere

  #89 opened 3 years ago by paulsonak
  4

• Google COLAB TYPE ERROR -> 11_CHEMBL26_SCN5A_IC50_prediction.ipynb, 'NormalizationTransformerMissingData' object is not callable

  #83 opened 3 years ago by danluu-jav
  11

• Errors encountered with predict_bsep_inhibition.py example workflow

  #34 opened 4 years ago by GodloveD
  2

• test currently failing on dataset download

  #24 opened 4 years ago by GodloveD
  1

• Errror in pytest

  #12 opened 5 years ago by jbdav
  1