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choderalab
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pinot
Probabilistic Inference for NOvel Therapeutics
MIT License
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Gpytorch integration - variational GP
#122
dnguyen1196
opened
3 years ago
2
changing the `embedding_dim` of `SemiSupNet` induces error
#121
yuanqing-wang
opened
3 years ago
2
Active human
#120
yuanqing-wang
closed
3 years ago
1
Added data and some fixed ordering of human acquisitions.
#119
miretchin
opened
3 years ago
39
metrics without `_independent`
#118
yuanqing-wang
opened
3 years ago
0
Active learning with ss model
#117
dnguyen1196
closed
3 years ago
3
minor cleanup in notebook
#116
karalets
closed
3 years ago
0
handle greedy exception when q > len(utility) and moonshot sorted by date
#115
dnguyen1196
closed
3 years ago
2
adding a notebook with a BP likelihood landscape
#114
karalets
closed
3 years ago
1
[WIP] biophysical_with_ic50
#113
yuanqing-wang
opened
3 years ago
3
Biophysical BayesOpt + Thompson Sampling
#112
miretchin
closed
3 years ago
13
debug
#111
yuanqing-wang
closed
3 years ago
5
dataset yields g, y, c
#110
yuanqing-wang
closed
3 years ago
0
GPU support for dataset
#109
yuanqing-wang
closed
3 years ago
0
Biophysically challenged
#108
karalets
closed
3 years ago
3
Semi-supervised active learning [WIP]
#107
dnguyen1196
closed
3 years ago
1
fixed batch
#106
yuanqing-wang
closed
3 years ago
0
default
#105
yuanqing-wang
closed
3 years ago
0
Biophysical
#104
karalets
closed
3 years ago
1
Added first batch acquisition functions.
#103
miretchin
closed
3 years ago
4
Dataset
#102
yuanqing-wang
closed
3 years ago
0
dataset representation
#101
yuanqing-wang
opened
3 years ago
3
Added edge decoder, modify SequentialMix and Train
#100
dnguyen1196
closed
3 years ago
0
Examples
#99
yuanqing-wang
closed
4 years ago
0
Incorporate edge feature (bond types) into decoder reconstruction
#98
dnguyen1196
closed
4 years ago
0
Biophysical models
#97
karalets
closed
3 years ago
11
Updated decoder interface, to be more modular
#96
dnguyen1196
closed
4 years ago
1
lint
#95
yuanqing-wang
closed
4 years ago
1
lint
#94
yuanqing-wang
closed
4 years ago
1
lint
#93
yuanqing-wang
closed
4 years ago
1
updating readme and minor cleanups
#92
karalets
closed
4 years ago
5
Update semi-supervised comparison script
#91
dnguyen1196
closed
4 years ago
0
black
#90
yuanqing-wang
closed
4 years ago
0
doc strings
#89
yuanqing-wang
closed
4 years ago
1
Sequential mix
#88
dnguyen1196
closed
4 years ago
2
prettify before moving forward
#87
yuanqing-wang
opened
4 years ago
1
Updated semi-supervised learning curve script
#86
dnguyen1196
closed
4 years ago
0
Updated semi-supervised model implementation to work with new ExactGP Net
#85
dnguyen1196
closed
4 years ago
2
Semi supervised with GPU support
#84
dnguyen1196
closed
4 years ago
2
Multitask
#83
miretchin
closed
4 years ago
4
Datasets
#82
yuanqing-wang
closed
4 years ago
1
Updated semisupervised net + unit test for semi supervised
#81
dnguyen1196
closed
4 years ago
5
Unify unitest
#80
yuanqing-wang
closed
4 years ago
1
More updates (Can be merged)
#79
dnguyen1196
closed
4 years ago
1
Semi-supervised Net
#78
dnguyen1196
closed
4 years ago
1
gpytorch
#77
yuanqing-wang
closed
4 years ago
1
unify loss
#76
yuanqing-wang
closed
4 years ago
1
Unify michael
#75
miretchin
closed
4 years ago
1
Unify
#74
yuanqing-wang
closed
4 years ago
19
Quick fix to make semi-supervised active learning experiment work
#73
dnguyen1196
closed
4 years ago
1
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