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Pull requests: chemprop/chemprop

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Pull requests list

Fixing small bug in hpopt for learning rate
#913 opened Jun 8, 2024 by akshatzalte Loading…
1
Add new example notebook for active learning
#910 opened Jun 7, 2024 by joelnkn • Draft v2.1.0
1
@joelnkn
2
Add new example notebook for transfer learning
#904 opened Jun 5, 2024 by joelnkn • Draft v2.1.0
1
@joelnkn
1
Explicitly double save scalers/criterion
#898 opened Jun 2, 2024 by KnathanM Loading… v2.0.x
Log statistical summary of training dataset
#882 opened May 23, 2024 by donerancl Loading…
1 of 2 tasks
v2.0.x
22
Fixed typos in CLI reference and standardized formatting
#880 opened May 23, 2024 by donerancl Loading… v2.0.x
4
add rdkit_2d featurizer
#877 opened May 22, 2024 by KnathanM Loading…
1 task
v2.0.x
11
Remove featurizing from datapoint
#876 opened May 22, 2024 by KnathanM Loading…
2 tasks done
v2.0.x
1
11
build molecule featurizer in parsing
#875 opened May 22, 2024 by KnathanM Loading… v2.0.x
3
[WIP]: Adding Apple Silicon back to CI
#863 opened May 13, 2024 by JacksonBurns • Draft v2.0.x
1
Atomic encodings
#861 opened May 9, 2024 by KnathanM Loading…
2 tasks
v2.0.x
3
Add notebooks to document modules
#834 opened Apr 24, 2024 by KnathanM Loading… v2.0.x
8
add mypy to linting
#833 opened Apr 23, 2024 by c-w-feldmann Loading… v2.0.x
V2: Add more example notebooks mlpds Issue/PR by MLPDS member (priority)
#772 opened Apr 9, 2024 by kevingreenman • Draft v2.0.x
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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