DeepChem Minutes 1/27/2021

DeepChem Minutes

India/Asia/Pacific Call

Date: January 27th, 2022

Attendees: Bharath, Peter, Shai, Zaky, Anshuman


Shai is from Coimbatore and is a student at BITS Pilani and is interested in learning more about computational chemistry.

Anshuman is a student at NIIT Warangal who is interested in applying machine learning to chemistry and has started experimenting with DeepChem.

Bharath this week has been working on getting the release blog post out and wrote some ideas for GSoC 2022 (​​

Peter this week has been busy with other work.

Zaky has been looking into Glycan-aware docking and found that there are some Rosetta carbohydrate tools.

Anshuman asked what a good place to contribute would be. Bharath mentioned the model wishlist and mentioned Neural ODEs as a good target.

Americas/Europe/Africa/Middle East

Date: January 14th, 2022

Attendees: Bharath, Sam, Lizzie, Arun, James, Tony, Abhishek


Sam is a medicinal chemist at Gilead who has started working with DeepChem to do computational chemistry.

Lizzie is a neuroscientist who is building an open source team at a healthcare VC.

Bharath gave the same update as at the previous meeting.

Arun worked with Bharath on the release blog post for DeepChem 2.6. Arun has also been working on MEGNet, a model for materials science.

Tony is working on a PR to add a utility to use hhsuite from DeepChem. Hhsuite is a bioinformatics homology search utility. Tony needs to add unit tests.

Isuru has been busy with classes but has been working on ideas for new tutorials. Isuru put up an issue suggesting a reinforcement learning tutorial.

Abhishek this week has been working with one of his students to put together a proposal for lightning integration. Abhishek will put up the proposal on the forums for review in the next few days.

James is finishing up his PhD and will start a postdoc soon.

Bharath asked if Sam and Lizzie had any areas where they would like to contribute.

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.