miguelgondu
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655 contributions in the last year
Contribution activity
September 2023
Created 46 commits in 2 repositories
Created 4 repositories
- miguelgondu/blog_hugo HTML
- miguelgondu/walk-jump Python
- miguelgondu/TDC Jupyter Notebook
- miguelgondu/pyscreener Python
Created a pull request in MachineLearningLifeScience/poli that received 1 comment
Merge pull request #24 from MachineLearningLifeScience/dev
Fixes a couple of bugs introduced with the new alternative start
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Opened 13 other pull requests in 2 repositories
MachineLearningLifeScience/poli
1
open
11
merged
- [WIP] Adding examples, tests and documentation of observers
- Adds support for seeding, sets default seed to None
- Adds a try-except to the termination of external black box
- Parallelization of black box calls
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More than one wildtype in
foldxobjectives - Implements repairing using the foldx interface, allows users to pass …
- Adds SA from TDC as an objective, refactors TDC-related black boxes
- Adds three lambo objectives, including an example
- Updates the environment for lambo, forces registration, adds example
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Fixes a couple of bugs introduced with the new alternative
start - Adds the start method to tests, adds lists of strings as possible fac…
- Adds a way to start objective functions using a context manager
miguelgondu/blog_gatsby
1
open
Reviewed 3 pull requests in 3 repositories
scikit-learn/scikit-learn
1 pull request
MachineLearningLifeScience/poli
1 pull request
MachineLearningLifeScience/protein_regression
1 pull request
Created an issue in MachineLearningLifeScience/poli that received 6 comments
The external process is not terminating gracefully
At some point, the call to terminate in the ExternalBlackBox started to throw a weird exception:
Exception ignored in: <function AbstractBlackBox._…
6
comments
Opened 14 other issues in 2 repositories
MachineLearningLifeScience/poli
11
open
2
closed
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Test the
chemistryandproteinutilities. -
Add
diffdockas an objective function -
foldxobjectives: automatically recognize binaries with date extension in home dir -
Add
__repr__to black boxes and problem factories -
Add
dockstringas an objective function - Set up automatic documentation
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Add
RaSPas an objective function - Fix, integrate and document the work on observers
- Add support for seeding
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Document
FoldxInterfacebetter. -
FoldxInterfaceis overly picky with specifyingPaths -
Add a
fast-evaluateto thefoldxinterface and problems -
Creating the environment for
foldx_rfp_lambofails atbotorch
samuelstanton/lambo
1
open
21
contributions
in private repositories
Sep 1 – Sep 18