DeepChem Minutes 10/29/2021

DeepChem Minutes

India/Asia/Pacific Call

Date: October 28th, 2021

Attendees: Bharath, Peter, Gauri


Gauri is a high school student who’s interested in getting involved with DeepChem. Bharath suggested taking a look at the tutorial.

Bharath this week has reviewed a few PRs and has done some work to organize the release.

Peter submitted a PR with an openmm bugfix this week but was otherwise busy.

Americas/Europe/Africa/Middle East

Date: October 29th, 2021

Attendees: Arun, David, Sai


Sai is a fourth year undergrad student and he has been going through molgan tutorials.

David is working on the reshard (PR 2707) and he was also fixing some CI errors. David mentioned about BioExcel building blocks which can be used for protein ligand docking. It seems to be built on top of autodock vina.

Arun was working on DeepChem 2.6 release. Last week, he worked on a couple of fixes to CI and fixing test failures in autodock vina. Arun mentioned that autodock vina’s new release has different APIs than the previous version and with the new release, vina also has support for python scripting.

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.