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Commits on Nov 20, 2020

• Fixing mypy

  

  Bharath Ramsundar

  authored and

  Bharath Ramsundar

  committed
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• Working towards fixing contact tests

  

  Bharath Ramsundar

  authored and

  Bharath Ramsundar

  committed
  03b787d

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Commits on Apr 16, 2020

• Added Flash Points Dataset

  JanoschMenke

  authored
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Commits on Nov 13, 2017

• DS update

  

  leswing

  authored and

  leswing

  committed
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Commits on Sep 7, 2017

• add example experimental dataset

  kmckiern

  committed
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Commits on May 9, 2017

• Membrane Permeability Data

  lilleswing

  committed
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• Membrain Permiability

  lilleswing

  committed
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Commits on Jan 14, 2017

• Increased ChEMBL dataset size, and added year split

  

  cc

  committed
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Commits on Jan 13, 2017

• Added ChEMBL dataset with examples

  

  cc

  committed
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Commits on Jan 7, 2017

• remove redundant samples in nci

  miaecle

  committed
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Commits on Jul 8, 2016

• Some fixes to NCI datasets/loading

  rbharath

  committed
  6993176

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• wrote load from two files function to handle nci dataset

  apappu97

  committed
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Commits on May 19, 2016

• Merge branch 'master' of https://github.com/deepchem/deepchem into sdf_reader

  joegomes

  committed
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• SDF input file reader functional

  joegomes

  committed
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Commits on May 16, 2016

• Final draft of bace_rf

  rbharath

  committed
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Commits on Apr 6, 2016

• Debugging singletask models.

  rbharath

  committed
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Commits on Apr 4, 2016

• Reloading test and bugfix.

  rbharath

  committed
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Commits on Mar 26, 2016

• Added generated versions of datasets.

  

  Bharath

  committed
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Commits on Mar 10, 2016

• Add Quantum Machine example and dataset

  joegomes

  committed
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Commits on Mar 7, 2016

• py3 for datasets/construct_pdbbind_df.py

  hainm

  committed
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Commits on Feb 26, 2016

• Adding crystal datastructure

  rbharath

  committed
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Commits on Feb 21, 2016

• Handling merge conflicts

  rbharath

  committed
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Commits on Feb 20, 2016

• Merge pull request #3 from deepchem/master

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  joegomes

  committed
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Commits on Feb 19, 2016

• Added new test and BACE ipynb

  rbharath

  committed
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Commits on Feb 15, 2016

• fixed travis.yml

  evanfeinberg

  committed
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Commits on Feb 12, 2016

• User_specified_features

  joegomes

  committed
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Commits on Feb 5, 2016

• Local changes for solubility tutorial.

  rbharath

  committed
  108af21

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Commits on Jan 27, 2016

• added hyperparameter search, fixed memory errors

  evanfeinberg

  committed
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Commits on Jan 23, 2016

• fixed failing tests

  evanfeinberg

  committed
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Commits on Jan 22, 2016

• added nnscore featurization and nosetest

  evanfeinberg

  committed
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Commits on Jan 20, 2016

• Gzipped to compress.

  rbharath

  committed
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• Adding CSV datasets for muv/tox21.

  rbharath

  committed
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