DeepChem Minutes 6/03/2021

DeepChem Minutes

India/Asia/Pacific Call

Date: May 28th, 2021
Attendees: Bharath, Vignesh, Manan
Summary: Manan just finished his undergrad and is looking to contribute to DeepChem.

Bharath has been working on

Vignesh is starting work on the Jax Model and has been familiarizing himself with the repo and the infrastructure.

Manan is interested in improving DeepChem’s user experience and asked if he could submit a PR fixing some issues he noted which Bharath said would be great.

Americas/Europe/Africa/Middle East

India/Asia/Pacific Call

Date: May 28th, 2021
Attendees: Bharath, Peter, David, Kevin, Stanley, Seyone, Ajay, Nathan, Morgan
Summary: Bharath has been working on the version upgrade to DeepChem 2.6.0

Peter has been busy this week.

David has put up a tutorial for the updated temperature prediction. He is also working on seeing whether FASTALoader of CSV Loader would work better

Stanley has finished up his Ray summit presentation and is looking into porting some of those ideas over to DeepChem. He suggested it might be useful to connect with some of the Ray team. Stanley mentioned that

Kevin and Morgan are continuing to work on the Weights and Biases logger. Kevin asked about the discussion at https://github.com/deepchem/deepchem/pull/2520#issuecomment-854082554 and how we could generalize the structure of the logger to not be wandb specific. Peter mentioned that some of the logic in this class is generic and could be used for Tensorboard or other loggers as well and should be refactored out.

Seyone has been working on getting the ChemBERTa masked language model working. Seyone is working on debugging one of the normalizing flow tutorials due to a selfies version bump.

Ajay has finished working through the core tutorials and is looking at the basic contributor help wanted issues. Bharath mentioned that https://github.com/deepchem/deepchem/issues/2513 might be a good place to start.

Nathan has started at a new job this week and it’s been a little hectic. Nathan has been working with Seyone on debugging selfies. Nathan is working with Vignesh on how to get JaxModel into DeepChem. Peter mentioned that we might not need to mess with setup.py but rather just the question of the pip/conda packages. https://github.com/deepchem/deepchem/issues/2504

Joining the DeepChem Developer Calls

As a quick reminder to anyone reading along, the DeepChem developer calls are open to the public! If you’re interested in attending either or both of the calls, please send an email to X.Y@gmail.com, where X=bharath, Y=ramsundar.

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