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aiida-mlip
aiida-mlip PublicForked from stfc/aiida-mlip
machine learning interatomic potentials aiida plugin
Python
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FTorch
FTorch PublicForked from Cambridge-ICCS/FTorch
A library for directly calling PyTorch ML models from Fortran.
Fortran
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FTorch-benchmarks
FTorch-benchmarks PublicForked from Cambridge-ICCS/FTorch-benchmarks
Benchmarking for the fortran-pytorch-lib against forpy (disconnected form MiMA)
Jupyter Notebook
821 contributions in the last year
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Activity overview
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Contribution activity
March 2025
Created 13 commits in 4 repositories
Created a pull request in stfc/janus-core that received 6 comments
Fix temperature saved during MD
Resolves #433
Saves temperature (which ASE gets from momenta, so requires minimal calculation), and, where relevant, target temperature, to Atoms.info
+95
−33
lines changed
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6
comments
Opened 6 other pull requests in 2 repositories
stfc/janus-core
4
merged
1
open
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Fix duplicate stats headers
This contribution was made on Mar 13
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Add progress bar for descriptors
This contribution was made on Mar 13
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Save input configuration
This contribution was made on Mar 5
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Add default output directory
This contribution was made on Mar 5
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Fix publish installation
This contribution was made on Mar 3
stfc/janus-api
1
merged
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Update README.md
This contribution was made on Mar 3
Reviewed 7 pull requests in 2 repositories
stfc/janus-core
5 pull requests
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Fix temperature saved during MD
This contribution was made on Mar 13
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Add default output directory
This contribution was made on Mar 11
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[RFC] Add initial invenio class hierarchy
This contribution was made on Mar 10
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Add Correlator CLI and defaults
This contribution was made on Mar 3
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add mattersim calculator fixes #425
This contribution was made on Mar 3
stfc/janus-api
2 pull requests
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Geomopt
This contribution was made on Mar 10
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Visualisation
This contribution was made on Mar 7
Opened 3 issues in 1 repository
stfc/janus-core
3
open
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Rename NEB band
This contribution was made on Mar 10
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Use Choices for CLI Literal parameters
This contribution was made on Mar 6
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Improve parameterisation of tests
This contribution was made on Mar 3