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Pull requests: chemprop/chemprop

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Pull requests list

Fix DDP prediction and checkpoint Issues
#884 opened May 24, 2024 by shihchengli Loading…
2 tasks
v2.0.1
1
Fix unused parameters issue in DDP
#883 opened May 24, 2024 by shihchengli Loading…
2 tasks
v2.0.1
1
Log statistical summary of training dataset
#882 opened May 23, 2024 by donerancl Loading…
1 of 2 tasks
6
V2: Make hpopt config compatible with training config
#881 opened May 23, 2024 by hwpang Loading…
2 tasks done
v2.0.1
2
7
Fixed some typos in the CLI reference and made formatting more consis…
#880 opened May 23, 2024 by donerancl Loading…
1 of 2 tasks
1
add rdkit_2d featurizer
#877 opened May 22, 2024 by KnathanM Loading…
1 task
v2.0.1
9
Remove featurizing from datapoint
#876 opened May 22, 2024 by KnathanM Loading…
2 tasks done
v2.0.1
1
11
build molecule featurizer in parsing
#875 opened May 22, 2024 by KnathanM Loading… v2.0.1
3
Fix small bugs in hpopt
#873 opened May 21, 2024 by akshatzalte Loading… v2.0.1
1
28
[WIP]: Adding Apple Silicon back to CI
#863 opened May 13, 2024 by JacksonBurns • Draft v2.0.1
1
Atomic encodings
#861 opened May 9, 2024 by KnathanM Loading…
2 tasks
v2.0.1
3
V2: Fix small hpopt bugs and add example notebook
#842 opened Apr 25, 2024 by hwpang Loading…
2 tasks
v2.0.1
8
Add notebooks to document modules
#834 opened Apr 24, 2024 by KnathanM Loading… v2.0.1
8
add mypy to linting
#833 opened Apr 23, 2024 by c-w-feldmann Loading… v2.0.1
Add isort for sorting imports
#807 opened Apr 17, 2024 by hwpang Loading…
2 tasks
v2.1.0
17
V2: Add more example notebooks mlpds Issue/PR by MLPDS member (priority)
#772 opened Apr 9, 2024 by kevingreenman • Draft v2.0.1
1
5
[v2]: Acceptance Testing for Numpy v2.0
#733 opened Mar 18, 2024 by JacksonBurns • Draft v2.1.0
1
3
V2: consolidate --checkpoint CLI
#731 opened Mar 14, 2024 by hwpang Loading… v2.1.0
1
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