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14 Open 47 Closed
14 Open 47 Closed
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Issues list

Committor doc documentation Improvements or additions to documentation
#137 opened May 22, 2024 by EnricoTrizio
@EnricoTrizio
Remove underscore in activation functions question Further information is requested
#136 opened May 21, 2024 by EnricoTrizio
linear activation function gives errors bug Something isn't working
#134 opened May 14, 2024 by EnricoTrizio
@andrrizzi
2
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
Can not compile some models to torchscripts with torch verion 2. good first issue Good for newcomers
#126 opened Apr 11, 2024 by jintuzhang
1
1
Problems in compiling torch module in plumed
#90 opened Aug 24, 2023 by JinyinZha
4
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
Transforms acting on positions enhancement New feature or request
#57 opened Apr 29, 2023 by luigibonati
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
2
[tica] parallelize search for time lagged configurations enhancement New feature or request
#10 opened Feb 14, 2022 by luigibonati
ProTip! Exclude everything labeled bug with -label:bug.