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Commits on Oct 14, 2019

• Create README.md

  dipanghosh

  authored
  d84ad47

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Commits on Jun 3, 2019

• Update .gitignore

  dipanghosh

  committed
  aeab54d

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Commits on May 21, 2019

• Update utilities.py

  dipanghosh

  committed
  6dfeca1

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• Update .gitignore

  dipanghosh

  committed
  f5c62b3

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Commits on May 20, 2019

• New util method fpr fetching SMILES from PUBCHEM with PUG REST

  dipanghosh

  committed
  0073887

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Commits on Jul 5, 2018

• Implemented bionomial distribution

  dipanghosh

  committed
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Commits on Feb 19, 2018

• Alphascreen analysis updated

  dipanghosh

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Commits on Jan 11, 2018

• Application analysis updated

  dipanghosh

  committed
  4b0fb7a

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Commits on Nov 17, 2017

• Added plotting script for plotting histogram.

  dipanghosh

  committed
  c2491ff

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Commits on Nov 16, 2017

• Refactored frequent hitter checker script

  dipanghosh

  committed
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Commits on Nov 14, 2017

• Molecularsizedist

  dipanghosh

  committed
  8c3dbbc

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• Addded few utility functions

  dipanghosh

  committed
  d280e07

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• Initial code for mining data for application analysis.

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  dipanghosh

  committed
  551cb82

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• Initial code for mining data for application analysis.

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  dipanghosh

  committed
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Commits on Aug 22, 2017

• Added .gitignore file to the project

  dipanghosh

  committed
  c590c0b

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• Implemented calculation and plotting of tanimoto similiarity distributions between two datasets. This implementation uses rdkit and the fingerprint therein.

  dipanghosh

  committed
  6f5bba9

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• Reads fro pickle file and plots as density plot...

  dipanghosh

  committed
  fe12813

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• Implemented script to determine accuracy of Vina scores using the determinecutoff script.

  dipanghosh

  committed
  7ebe146

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• Modified script to use more meaningful formula. Now calcaccuracy() returns a tuple instead of printing to te console

  dipanghosh

  committed
  fbc34b2

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• Insignificant change

  dipanghosh

  committed
  5162800

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• Changed file for selectatrandom

  dipanghosh

  committed
  b762adc

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• Added loading of inconclusive lists

  dipanghosh

  committed
  0775012

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• Added exporting of the switchers as boolean lists

  dipanghosh

  committed
  79d5dbb

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• Modified and added logic to find only conclusive compounds.

  dipanghosh

  committed
  2ff870f

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• Implemented bootstrap sampling for calculating statistics

  dipanghosh

  committed
  b6db103

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• Added Utility functioc dumpToPickle

  dipanghosh

  committed
  f311227

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Commits on Aug 2, 2017

• .

  dipanghosh

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Commits on Jul 27, 2017

• .

  dipanghosh

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  7c82262

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Commits on Jul 24, 2017

• reformatted and updated

  dipanghosh

  committed
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Commits on Jul 18, 2017

• reformatted and updated

  dipanghosh

  committed
  ce40642

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Commits on Jul 7, 2017

• Merge remote-tracking branch 'origin/master'

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  857db59

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• reformatted

  dipanghosh

  committed
  5606cc4

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• Adding accuracy analysis

  dipanghosh

  committed
  0d6fd7d

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Commits on Jun 27, 2017

• .

  dipanghosh

  committed
  4e132d4

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Commits on Jun 16, 2017

• .

  dipanghosh

  committed
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