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leojklarner
/
gauche
A Library for Gaussian Processes in Chemistry
https://leojklarner.github.io/gauche/
MIT License
213
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22
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#72
kkovary
opened
1 month ago
1
[Question] String kernels: Which is which
#71
benjamc
closed
1 month ago
3
custom SIGP model save & load
#70
kkovary
closed
1 month ago
1
fit_gpytorch_model -> fit_gpytorch_mll in notebook examples
#69
mhellstr
opened
3 months ago
1
Difficulty saving and loading models using`NonTensorialInputs` data
#68
kkovary
closed
1 month ago
5
Fix string kernel example notebook
#67
AntObi
closed
8 months ago
0
BO Hackathon for chemistry and materials
#66
sgbaird
opened
8 months ago
1
Fixing atomated generation of documentation.
#65
leojklarner
closed
11 months ago
1
Fixing GitHub CI and tests.
#64
leojklarner
closed
11 months ago
0
Code clean-up, increased modularity and more tests.
#63
leojklarner
closed
11 months ago
0
Google Colab Links in README Don't have Instructions for Installing Dependencies
#62
Ryan-Rhys
opened
1 year ago
0
How to install gauche as a library?
#61
wiseodd
closed
11 months ago
5
Ryan/dev
#60
Ryan-Rhys
closed
1 year ago
0
Refactoring fingerprint kernel classes
#59
Ryan-Rhys
closed
1 year ago
0
Adding sparse GP notebook on lipophilicity
#58
Ryan-Rhys
closed
1 year ago
0
Ryan/dev
#57
Ryan-Rhys
closed
1 year ago
0
Adding Preferential Bayesian Optimisation Tutorial
#56
Ryan-Rhys
closed
1 year ago
0
Adding Molecular Preference Learning Notebook
#55
Ryan-Rhys
closed
1 year ago
0
Investigate Convolutional Kernel Networks
#54
Ryan-Rhys
opened
1 year ago
0
Add the "minmax" kernel
#53
AustinT
opened
1 year ago
3
Inconsistent / unclear python version requirements?
#52
AustinT
opened
1 year ago
1
Ryan/dev
#51
Ryan-Rhys
closed
1 year ago
0
Externel graph kernels
#50
InfProbSciX
closed
1 year ago
0
Add graph kernel experiments
#49
InfProbSciX
closed
1 year ago
0
Ryan/dev
#48
Ryan-Rhys
closed
1 year ago
0
added batched string kernel and example notebook
#47
aryandeshwal
closed
1 year ago
1
Refactor setup to support modular requirements lists #42
#46
a-r-j
closed
1 year ago
0
Update docs branch
#45
Ryan-Rhys
closed
1 year ago
0
Merge pull request #43 from leojklarner/main
#44
Ryan-Rhys
closed
1 year ago
0
Update Docs Branch
#43
Ryan-Rhys
closed
1 year ago
0
Separation of core and optional dependencies
#42
a-r-j
opened
1 year ago
1
Add pre-commit config
#41
a-r-j
closed
1 year ago
0
Add issue / PR templates
#40
a-r-j
closed
1 year ago
0
Add simple CI
#39
a-r-j
opened
1 year ago
3
Move benchmark models into Gprotorch codebase
#38
a-r-j
opened
1 year ago
0
Updates for docs
#37
a-r-j
closed
1 year ago
0
Updated tutorial assets folder
#36
Ryan-Rhys
closed
1 year ago
0
Updated MOGP Tutorial References and Figures
#35
Ryan-Rhys
closed
1 year ago
0
Real Multioutput GP Tutorial
#34
Ryan-Rhys
closed
1 year ago
0
Multioutput GP Tutorial
#33
Ryan-Rhys
closed
1 year ago
0
Add typehints
#32
a-r-j
opened
1 year ago
0
Warnings from Graphein need to be suppressed
#31
Ryan-Rhys
opened
1 year ago
0
It would be nice for non pip install suggestions
#30
DocMinus
opened
2 years ago
1
reaction regression/optimization
#29
bojana-rankovic
closed
1 year ago
1
Docs
#28
a-r-j
closed
2 years ago
0
reaction regression/optimization
#27
bojana-rankovic
closed
2 years ago
1
Buckminsterfullerene has stopped rotating
#26
Ryan-Rhys
closed
12 months ago
0
Pretrained kernel
#25
sangttruong
closed
2 years ago
0
Add graph kernel benchmarks and non tensor inputs GP class
#24
InfProbSciX
closed
1 year ago
2
Add support for GPs with non-tensor inputs and 3rd party kernels
#23
InfProbSciX
closed
2 years ago
0
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