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Pull requests list

Fix LR scheduler patience in SchNet train script
#5 by BerAnton was merged Aug 2, 2023 Loading… updated Aug 2, 2023
Graphormer3D
#6 by BerAnton was merged Oct 5, 2023 Loading… updated Oct 11, 2023
Gemnet oc
#9 by BerAnton was merged Oct 25, 2023 Loading… updated Oct 25, 2023
Optimization
#17 by BerAnton was merged Feb 29, 2024 Loading… updated Feb 29, 2024
Pipelines
#15 by BerAnton was merged Feb 22, 2024 Loading… updated Mar 13, 2024
Fixes
#16 by BerAnton was merged Feb 27, 2024 Loading… updated Mar 13, 2024
Model interface
#14 by BerAnton was merged Feb 21, 2024 Loading… updated Mar 13, 2024
added connectors for schnetpack-like dataset
#3 by KuzmaKhrabrov was merged Mar 7, 2023 Loading… updated Mar 13, 2024
@E-Rum
6
added dimenet++ pipeline
#8 by KuzmaKhrabrov was merged Oct 23, 2023 Loading… updated Mar 13, 2024
Misc
#19 by BerAnton was merged Mar 19, 2024 Loading… updated Mar 19, 2024
Changed list copy to deepcopy in PyGBatchwiseCalculator.calculate.
#23 by DenPotapov was merged Mar 26, 2024 Loading… updated Mar 26, 2024
Painn pyg
#20 by BerAnton was merged Mar 26, 2024 Loading… updated Mar 26, 2024
Features
#18 by BerAnton was merged Mar 26, 2024 Loading… updated Mar 29, 2024
Qhnet
#21 by BerAnton was merged May 13, 2024 Loading… updated May 14, 2024
1
Demos
#26 by BerAnton was merged May 29, 2024 Loading… updated May 29, 2024
Fix README.md
#30 by KonstantinUshenin was merged Jun 6, 2024 Loading… updated Jun 6, 2024
Fix documentation for the energy database
#29 by KonstantinUshenin was closed Jun 6, 2024 Loading… updated Jun 6, 2024
2
Demos
#31 by BerAnton was merged Jun 6, 2024 Loading… updated Jun 6, 2024
Tutorial 0a
#32 by KonstantinUshenin was merged Jun 12, 2024 Loading… updated Jun 12, 2024
1
Demos
#33 by KuzmaKhrabrov was merged Jun 12, 2024 Loading… updated Jun 12, 2024
Fix README.md
#34 by KonstantinUshenin was merged Jun 13, 2024 Loading… updated Jun 13, 2024
Demos
#35 by KuzmaKhrabrov was merged Jun 13, 2024 Loading… updated Jun 13, 2024
README, links and image updated
#36 by KuzmaKhrabrov was merged Jun 13, 2024 Loading… updated Jun 13, 2024
pre-release
#37 by BerAnton was merged Jun 21, 2024 Loading… updated Jun 21, 2024
Demos
#38 by BerAnton was merged Jun 22, 2024 Loading… updated Jun 22, 2024
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