Date: May 20th, 2021
Attendees: Bharath, Ashwin, Peter
Summary: Bharath has been working on the DeepChem 2.6.0 release. Bharath mentioned that he’s getting married next week and that he wouldn’t be able to run the call and asked for a volunteer to run the meeting. Ashwin kindly volunteered.
Ashwin mentioned that there might be a CUDA compatibility issue. Bharath mentioned that we might have actually had a CUDA issue with 2.5.0
Ashwin has been working on the flake8 issues but there’s still a minor issue with the init files. This is a known issue either flake8 and init files and there’s a usual workaround to just make flake8 ignore the init file. Ashwin has gotten the MIT USPTO dataset ready but there’s an issue with loading USPTO dataset with pandas. Vignesh mentioned to Ashwin that there’s a data leakage issue in the original USPTO
Peter was busy this week with openmm development.
Date: May 21st, 2021
Attendees: Bharath, Stanley, Nathan, Vignesh, Seyone, David
Summary: Bharath gave the same update as at the other call. Seyone kindly volunteered to run next week’s call.
Stanley was busy this week but did a little work on the bioinformatics tutorial.
Nathan this week put up a (blog post)(https://towardsdatascience.com/moleculenet-part-1-datasets-for-deep-learning-in-the-chemical-and-life-sciences-b86960d1ee22) introducing the new MoleculeNet API and which petitions people to add their own datasets. Nathan has also put together a notion template(https://www.notion.so/ncfrey/RDD-Demo-20403c83d4ac487fbf916d23df13e8a9) for project management which might be useful for GSoC students.
Vignesh mentioned that the PagTN PR has been successfully merged in and has been planning for GSoC.
Seyone has been looking into using umap and has been looking at https://github.com/deepchem/deepchem/issues/2519 and has a potential fix up.
David has been working on his protein modeling PR and is looking into adding swissprot/uniprot to moleculenet.
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.