Hugo MacDermott-Opeskin

icon indicating a website link https://hmacdope.github.io/ icon indicating an email [email protected]

icon company OpenADMET / @omsf icon location Memorial Sloan Kettering Cancer Center icon location Tech Lead @OpenADMET also @asapdiscovery @choderalab

Results 300 comments of Hugo MacDermott-Opeskin

Issue 3449 lammps dump parser

Hi @amirhs1 you seem to have added a bunch of files to the diff (and removed some) that you did not intend to (29 files changed). Please fix this up...

Issue 3449 lammps dump parser

Did you use `git commit *` at any point ? That can sometimes do it. Have a look in the `Files Changed` tab in this PR.

Issue 3449 lammps dump parser

@amirhs1 yep the diff looks good now, I'll review as soon as I can.

Issue 3449 lammps dump parser

@amirhs1 very jealous. Ping me if you need review.

run mypy and pyright in CI

is this closed by #3705?

AuxReader for EDR Files

Makes sense to me @orbeckst

AuxReader for EDR Files

@BFedder, thanks for addressing everything so quickly! Well done. Final thing to go is just discussion around units.

AuxReader for EDR Files

Also if you could resolve CHANGELOG stuff would be awesome.

AuxReader for EDR Files

@IAlibay you happy with moving forward with the PEP8 the way it is?

AuxReader for EDR Files

Ping @tylerjereddy? RE cirrus? I'm not so sure either.