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8000 GitHub · Where software is built

More Web Proxy on the site http://driver.im/

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Dataset Requirement

#37

· AbhayNath001 opened

on Nov 5, 2024

Could not find model to load [00:03:26] DEPRECATION WARNING: please use MorganGenerator

#36

· ratanrabha opened

on Oct 5, 2024

Do full hyperparameter search

#28

· ikmckenz opened

on Sep 25, 2020

Make neural net hyperparameters controllable

#27

· ikmckenz opened

on Sep 25, 2020

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

good first issue

#24

· jonlandrum opened

on Sep 1, 2020

Create a wrapper script for running the program

good first issue

#23

· jonlandrum opened

on Sep 1, 2020

Experiment with different classifier models

#18

· ikmckenz opened

on Aug 25, 2020

Use Batch Learning on classifier

#16

· ikmckenz opened

on Jul 4, 2020

Filter out promiscuous compunds

good first issue

#13

· ikmckenz opened

on Mar 23, 2020

More features

#10

· ikmckenz opened

on Jul 28, 2019

ChEMBL conflicting single bond directions

#6

· ikmckenz opened

on Jul 21, 2019

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