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12 Open 61 Closed
12 Open 61 Closed
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Issues list

Update to latest micromamba
#155 opened Sep 27, 2024 by EnricoTrizio
Numpy 2 support
#153 opened Sep 23, 2024 by EnricoTrizio
Add utils for computing and plotting deltaGs enhancement New feature or request
#150 opened Jul 11, 2024 by EnricoTrizio
@luigibonati @EnricoTrizio
Remove underscore in activation functions question Further information is requested
#136 opened May 21, 2024 by EnricoTrizio
CI tests running on MacOS-13 and not MacOS-latest enhancement New feature or request
#130 opened May 6, 2024 by EnricoTrizio
I am having a set of features which includes RMSD, RMSF, SASA, (x,y,z) co-ordinates, RoG, Avg H-Bonds formed over the simulation in a seperate set of dataframes.
#127 opened Apr 13, 2024 by vishnuthumpudi
1
Distinguish training_step from evaluate_loss for better inheritance? enhancement New feature or request
#73 opened May 25, 2023 by luigibonati
Preprocessing variables not defined as buffers of model bug Something isn't working enhancement New feature or request
#68 opened May 22, 2023 by EnricoTrizio
Move all test to test folder + pytest parametrization documentation Improvements or additions to documentation
#67 opened May 22, 2023 by EnricoTrizio
2
Issues in reduced rank algorithm for TICA bug Something isn't working
#54 opened Apr 26, 2023 by luigibonati
3
possible to apply for per-atom descriptors? enhancement New feature or request
#24 opened Feb 10, 2023 by thangckt
3
[tica] parallelize search for time lagged configurations enhancement New feature or request
#10 opened Feb 14, 2022 by luigibonati
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