Kevin Greenman
Kevin Greenman
In v1, our workflows automatically publish a new PyPI release when a commit is pushed to master that has a new version in it, but only after the building /...
* Stable v2.0 release planned for early 2024 * Primary objectives - making Chemprop: more usable from within Python scripts, more modular, easier to maintain and develop, more compute/memory efficient,...
**Notes** The original [`bumpversion`](https://github.com/peritus/bumpversion) package has not been maintained since 2015. Its successor, [`bump2version`](https://github.com/c4urself/bump2version) has not been maintained since 2022. The latter recommends switching to [`bump-my-version`](https://github.com/callowayproject/bump-my-version). Notably, this newest version...
**Notes** The current Docker installation does not work for a couple reasons: 1. It uses the `environment.yml` file that we just removed 2. It (sometimes?) has issues with the `torch-scatter`...
Originally posted by @davidegraff in https://github.com/chemprop/chemprop/pull/433#discussion_r1349307128
Update from @JacksonBurns: Our demo notebooks currently do not support running in either Google Colab or MyBinder. - Google Colab uses Python 3.10 for the notebook kernel, which Chemprop v2...
The issue installing `torch` and `torch-scatter` in one go is not something we're equipped to address, as it's a larger problem faced by many others. We should probably add a...
**Notes** Change issue templates so we have: * v1 bug report (make clear that these will most likely not be fixed and are for community benefit) * v2 bug report...