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Dft 8 #10

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GreatRSingh
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Description

Fix #(issue)

Type of change

Please check the option that is related to your PR.

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
    • In this case, we recommend to discuss your modification on GitHub issues before creating the PR
  • Documentations (modification for documents)

Checklist

  • My code follows the style guidelines of this project
    • Run yapf -i <modified file> and check no errors (yapf version must be 0.32.0)
    • Run mypy -p deepchem and check no errors
    • Run flake8 <modified file> --count and check no errors
    • Run python -m doctest <modified file> and check no errors
  • I have performed a self-review of my own code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation
  • I have added tests that prove my fix is effective or that my feature works
  • New unit tests pass locally with my changes
  • I have checked my code and corrected any misspellings

@GreatRSingh GreatRSingh force-pushed the dft-8 branch 2 times, most recently from 602bfd7 to b763307 Compare May 31, 2024 13:32
NimishaDey and others added 14 commits June 3, 2024 09:56
@NimishaDey
Fixing mypy errors (deepchem#3988)
3070da4
@GreatRSingh
DFT PR - 7 (deepchem#3974)
04f4e47 
* forward

* 3.8

* added to docs

* shift from common to torch env

* mypy fixes

* doctest fixes
@Cannon07
Deepchem website rebuild trigger (deepchem#3981)
dccc7ef 
* Added website rebuild workflow

* Fixed indent

* Added comments

* Added docs for the workflow
@gauthamk02
add: basic implementation of torch.compile (deepchem#3987)
0508ce7 
* add: basic implementation of torch.compile

* resolve: doc-fix suggestion
@karannb
Made all changes. (deepchem#3997)
fae2311
@shreyasvinaya
Fix Linting Test (deepchem#4005)
4661f91
@GreatRSingh
Add OpenBlas for dqclibs building (deepchem#3996)
ebb7824 
* add openblas

* space fix

* build essential
@GreatRSingh
forward
ec3f8a8
@GreatRSingh
3.8
5d08647
@GreatRSingh
shift from common to torch env
46f83ce
@GreatRSingh
init
42fea6d
@GreatRSingh
init
5698cf0
@GreatRSingh
logging changes
1d42e4f
@GreatRSingh
docs
adf58f9
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6 participants
@GreatRSingh @NimishaDey @Cannon07 @gauthamk02 @karannb @shreyasvinaya