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Pull requests: openmm/openmm-torch

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Pull requests list

Added global parameters to Python wrapper
#29 by peastman was merged Apr 11, 2021 Loading…
1
Added functions for casting
#6 by peastman was merged Jan 9, 2020 Loading…
Renamed class and namespace
#7 by peastman was merged Jan 9, 2020 Loading…
Created Python test
#8 by peastman was merged Jan 10, 2020 Loading…
Recipe for a conda package
#9 by raimis was closed Jan 15, 2020 • Draft
1 of 2 tasks
5
Avoid race condition while copying forces on GPU
#15 by peastman was closed Aug 6, 2020 Loading…
1
4
Fix a race condition by explicitly coping Torch forces
#16 by raimis was merged Aug 6, 2020 Loading…
1
3
[BUGFIX] Synchronize CUDA context before force copying
#17 by yaoyic was merged Oct 7, 2020 Loading…
8
TorchForce supports global parameters
#18 by peastman was merged Jan 15, 2021 Loading…
README describes how to identify OpenMM directory
#19 by peastman was merged Jan 15, 2021 Loading…
README: Add instructions for conda installation
#21 by jaimergp was merged Jan 19, 2021 Loading…
1
Update README to be more comprehensible
#23 by jchodera was merged Jan 22, 2021 Loading…
11
Can run PyTorch calculations on GPU
#1 by peastman was merged Oct 1, 2019 Loading…
add CI
#25 by jaimergp was merged Feb 2, 2021 Loading…
1
9
Added missing information to serialization proxy
#38 by peastman was merged May 28, 2021 Loading…
1
Fix the force accumulation in the reference platform
#46 by raimis was merged Sep 27, 2021 Loading…
1
Improved coordination of CUDA contexts with PyTorch
#47 by peastman was merged Nov 9, 2021 Loading…
1
6
Fix the synchronisation between the CUDA contexts
#49 by raimis was merged Jan 12, 2022 Loading…
2 tasks done
@raimis
7
Test if a PyTorch module receives corrects arguments
#50 by raimis was merged Jan 8, 2022 Loading…
3 tasks done
@raimis
2
Models can directly output forces
#52 by peastman was merged Jan 10, 2022 Loading…
1
5
Update CI
#53 by raimis was merged Jan 7, 2022 Loading…
3 tasks done
@raimis
2
Fix the Python wrapper of "setOutputsForces" and "getOutputsForces"
#60 by raimis was merged Jan 21, 2022 Loading…
2 tasks done
1
@raimis
3
The first tutorial of OpenMM-Torch with NNPOps
#62 by raimis was merged Mar 1, 2022 Loading…
3 tasks done
1
@raimis
20
Support CUDA Graphs enhancement New feature or request
#68 by raimis was closed Apr 14, 2023 • Draft
6 of 8 tasks
@raimis
3
Changes for PyPI wheels
#161 by peastman was merged Nov 11, 2024 Loading…
ProTip! Updated in the last three days: updated:>2024-12-23.