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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| README.md | 2026-07-01 | 1.3 kB | |
| v2.2.4 source code.tar.gz | 2026-07-01 | 150.6 MB | |
| v2.2.4 source code.zip | 2026-07-01 | 150.8 MB | |
| Totals: 3 Items | 301.4 MB | 0 | |
chemprop v2.2.4
There are two new additions to chemprop:
- a new demo notebook showing how to tune a Chemprop model using optuna - thanks @YixiZ04 !
- you can now customize each layer of Chemprop FFN's separately, e.g., size 512, 256, 128, etc., rather than a single fixed size all the way through
Changelog
- Add note about edge update functions by @KnathanM in https://github.com/chemprop/chemprop/pull/1348
- CI Coverage 0% Bugfix by @JacksonBurns in https://github.com/chemprop/chemprop/pull/1355
- Fix
--descriptors-columnscompat withpandas>=3by @JacksonBurns in https://github.com/chemprop/chemprop/pull/1350 - Fix shuffle docstring by @KnathanM in https://github.com/chemprop/chemprop/pull/1359
- add hpopting_optuna.ipynb by @YixiZ04 in https://github.com/chemprop/chemprop/pull/1353
- docs: clarify atom featurizer CLI help by @gotnochill815-web in https://github.com/chemprop/chemprop/pull/1369
- Per-layer ffn hidden dims by @JacksonBurns in https://github.com/chemprop/chemprop/pull/1368
New Contributors
- @YixiZ04 made their first contribution in https://github.com/chemprop/chemprop/pull/1353
- @gotnochill815-web made their first contribution in https://github.com/chemprop/chemprop/pull/1369
Full Changelog: https://github.com/chemprop/chemprop/compare/v2.2.3...v2.2.4
