DeepChem Minutes 8/19/2021

DeepChem Minutes

India/Asia/Pacific Call

Date: August 19th, 2021

Attendees: Bharath, Ashwin


Bharath was out travelling last week and is just now catching up on DeepChem work. He’s planning to catch up on GSoC PRs in the next week.

Ashwin worked on the ReactionFeaturizer. The core of it is done, but the docs and the tests need to be added. There’s also some mismatch with the loader. There’s a problem when applying the tokenizer through the loader that Ashwin hasn’t been able to figure out. There might be some compatibility issue there.

Ashwin mentioned he’s following Alana’s latest PR on the featurization style.

Bharath mentioned a good goal for the end of summer would be to make a tutorial for retrosynthesis and Ashwin agrees.

Americas/Europe/Africa/Middle East

Date: August 20th, 2021

Attendees: Bharath, Peter, Seyone, Vignesh, Stanley


Bharath gave the same update as at the last call.

Peter has been working on OpenMM and been busy.

Vignesh has put up a PR adding PINNs using the Jax model. He’s introduced a new superclass called the PINNModel class and is working to finish polishing the class. He’s also working on a new tutorial for the new API as well. He’s trying to document th new API.

Seyone was moving to Berkeley this week and was busy. He did have some time to continue working on the ChemBERTa model design so the hugging face integration can continue.

Bharath mentioned we were coming up to the end of GSoC and students should plan their final work product submission for Google.

Bharath also mentioned that we would want to organize a GSoC presentation for students.

Joining the DeepChem Developer Calls

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