DeepChem Minutes 2/3/2022

DeepChem Minutes

India/Asia/Pacific Call

Date: February 3rd, 2022

Attendees: Bharath, Arun, Shaipranesh


Bharath opened,,

Arun made a PR for adding GraphNetworks (

Shai has been working on a tutorial for hyperopt usage with DeepChem. Shai asked if anyone had worked with progessive GANs and Bharath said he wasn’t aware of any work with progressive GANs for molecules or materials.

Anshuman discovered that the Jax layers aren’t rendering in the documentation at Anshuman has also been looking at torchdiffeq to learn more about Neural ODEs.

Americas/Europe/Africa/Middle East

Date: February 4th, 2022

Attendees: Bharath, Ashwin, Tony, Elena, Peter, Sam, Mridula


Elena just finished her PhD at UCSF and is currently a machine learning scientist with Nurix.

Mridula is a machine learning engineer with Nurix

Princy is a student studying machine learning at Georgetown College in Toronto who has been working with Abhishek on DeepChem-Lightning proposal.

Bharath gave the same update as at the previous meeting.

Ashwin is working to get TorchDiskDataset to work with HuggingFace and is running into a few errors with array handling.

Tony has been working with a hhsuite wrapper for DeepChem and has

Peter has been working to review a few PRs but nothing major to report.

Sam has written a tutorial on implementing Gaussian Processes with sklearn and made a pull request. Sam is interested in adding documentation on early stopping.

Ashwin asked about deepqmc and whether we can use it as a dependency.

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, where X=bharath, Y=ramsundar.