issues
search
Oloren-AI
/
olorenchemengine
OCE is the first infinitely composable library for reproducibly implementing SOTA molecular property prediction/QSAR techniques.
MIT License
98
stars
14
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Size mismatch for default embedding
#95
rbyrne-momatx
closed
1 year ago
2
Update gnn.py
#94
davidzqhuang
closed
1 year ago
0
Drop workflow
#93
davidzqhuang
closed
1 year ago
0
mode patch fit_regression
#92
davidzqhuang
closed
1 year ago
0
Unreasonable lower quantile line
#91
hshany
closed
1 year ago
1
What is the suggested way of integrating error estimation into classification models
#90
hshany
opened
1 year ago
2
Em save load
#89
davidzqhuang
closed
1 year ago
0
How to save error model
#88
hshany
closed
1 year ago
3
Better cv 2
#87
davidzqhuang
closed
1 year ago
0
refactoring
#86
davidzqhuang
closed
1 year ago
0
2-sided ci fixes
#85
davidzqhuang
closed
1 year ago
0
Vis error
#84
davidzqhuang
closed
1 year ago
0
2c small refresh
#83
davidzqhuang
closed
1 year ago
0
example refresh
#82
davidzqhuang
closed
1 year ago
0
add kernel distance error model, remove redundant error models
#81
alexzli
closed
1 year ago
0
MLP epochs patch
#80
davidzqhuang
closed
1 year ago
0
pubchemfingerprint_local
#79
davidzqhuang
closed
1 year ago
0
Gp sparse
#78
davidzqhuang
closed
1 year ago
0
auto bin sizing and issue resolve
#77
alexzli
closed
1 year ago
0
Remote call issue in 4A_Creating_Your_Own_Representation_Class.ipynb
#76
mireklzicar
closed
1 year ago
3
Patches vis
#75
davidzqhuang
closed
1 year ago
1
Unstable performance with oce model
#74
XZhang-ML
closed
1 year ago
1
errors using error model with model.fit_cv method
#73
XZhang-ML
closed
1 year ago
3
RuntimeError: "nll_loss_forward_reduce_cuda_kernel_2d_index" not implemented for 'Float'
#72
hshany
closed
1 year ago
3
add kernel error methods, two sided confidence intervals, curve fit initializations
#71
alexzli
closed
1 year ago
0
SMILES Drawer Fixes
#70
raunakdoesdev
closed
1 year ago
0
Fix Import Error w/ GPFlow
#69
raunakdoesdev
closed
2 years ago
0
set scale=None, default disable normalization for MorganVecRepresenta…
#68
davidzqhuang
closed
2 years ago
1
minor changes
#67
davidzqhuang
closed
2 years ago
0
Gp
#66
davidzqhuang
closed
2 years ago
1
If smiles can not be converted by Decriptasorus, uninformative TypeError thrown
#65
kgano-ucsd
closed
2 years ago
1
Removed unused remote from testing code
#64
raunakdoesdev
opened
2 years ago
1
kernel dies when doing model search with 1B_Model_Searching.ipynb
#63
PatWalters
opened
2 years ago
16
Cache
#62
davidzqhuang
closed
2 years ago
1
Lgbm
#61
rapster1
opened
2 years ago
0
plotly plotting, error model wrapper
#60
alexzli
closed
2 years ago
1
update uncertainty class structure, examples
#59
alexzli
closed
2 years ago
0
Exception in 2D_Visualizing_Errors.ipynb on M1 Mac
#58
PatWalters
opened
2 years ago
2
Shapley values
#57
pooched
opened
2 years ago
0
XGBoost error in 1B_Model_Searching on M1 Mac
#56
PatWalters
opened
2 years ago
2
2c refresh
#55
davidzqhuang
closed
2 years ago
0
Uq example patches
#54
davidzqhuang
closed
2 years ago
0
bug in 2A_Confidence_Intervals.ipynb
#53
PatWalters
closed
2 years ago
10
Patch uq calculate
#52
davidzqhuang
closed
2 years ago
0
Hyperparameter Optimization randomly errors after 20 iterations
#51
davidzqhuang
opened
2 years ago
0
Error running 1B_Model_Searching.ipynb on M1 Mac
#50
PatWalters
closed
2 years ago
3
Error running 0_Minimal_Example.ipynb
#49
PatWalters
closed
2 years ago
5
OSError: libtorch_cuda_cu.so: cannot open shared object file: No such file or directory
#48
PatWalters
closed
2 years ago
3
AssertionError: Torch not compiled with CUDA enabled on M1 Mac
#47
PatWalters
closed
2 years ago
4
test for example1d
#46
davidzqhuang
closed
2 years ago
0
Next