ikmckenz target-pred-py issues

ikmckenz / target-pred-py

A simple machine learning model for small-molecule target prediction in Python.

GNU General Public License v3.0

18 stars 8 forks source link

issues

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

#36 ratanrabha opened 6 days ago
0
No data?

#35 watermountain222 opened 3 months ago
2
Something wrong with memory

#34 Zzz233 opened 1 year ago
1
Updated README with valid SMILES string and example output

#33 saltshaiker closed 3 years ago
3
predict_top function n_output 'always giving 5' bug fixed

#32 shobhitsundriyal closed 4 years ago
2
Neural Net predict top doesn't return correct number of entries

#31 ikmckenz closed 4 years ago
1
Add flag to use full dataset

#30 pedrogengo closed 4 years ago
3
Add flag to training script to use full dataset

#29 ikmckenz closed 4 years ago
1
Do full hyperparameter search

#28 ikmckenz opened 4 years ago
0
Make neural net hyperparameters controllable

#27 ikmckenz opened 4 years ago
0
Model refactor

#26 ikmckenz closed 4 years ago
0
Refactor model class to use an abstract base class

#25 ikmckenz closed 4 years ago
0
Add parameter to make_dataset.py for running with parameterized pref_name count

#24 jonlandrum opened 4 years ago
1
Create a wrapper script for running the program

#23 jonlandrum opened 4 years ago
1
Replace "yoursmilesstring" with a valid SMILES string

#22 jonlandrum closed 3 years ago
2
Fixes ikmckenz/target-pred-py#20

#21 jonlandrum closed 4 years ago
1
Remove unused class

#20 jonlandrum closed 4 years ago
0
Create LICENSE

#19 ikmckenz closed 4 years ago
1
Experiment with different classifier models

#18 ikmckenz opened 4 years ago
1
Parallel features

#17 ikmckenz closed 4 years ago
0
Use Batch Learning on classifier

#16 ikmckenz opened 4 years ago
1
Describe # tree impact on top 5 accuracy score

#15 ikmckenz closed 4 years ago
1
Describe SuperPred in the README

#14 ikmckenz closed 4 years ago
1
Filter out promiscuous compunds

#13 ikmckenz opened 4 years ago
1
Add top five accuracy measure

#12 ikmckenz closed 5 years ago
0
Add "top five" accuracy

#11 ikmckenz closed 5 years ago
0
More features

#10 ikmckenz opened 5 years ago
1
Group targets

#9 ikmckenz closed 5 years ago
0
Group targets in data cleaning

#8 ikmckenz closed 5 years ago
0
Parallelize feature generation

#7 ikmckenz closed 4 years ago
0
ChEMBL conflicting single bond directions

#6 ikmckenz opened 5 years ago
0
Issue 3

#5 AidanPaterson closed 5 years ago
1
Improve RandomForestClassifier model parameters

#4 ikmckenz closed 4 years ago
2
Move to ChEMBL 25

#3 ikmckenz closed 5 years ago
0
Implement Swiss Predict query

#2 ikmckenz closed 5 years ago
0
Implement Swiss Predict query of ChEMBL

#1 ikmckenz closed 5 years ago
0