Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Begin Refactoring LigandMPNN CLI Call to use Metal #56

Merged
merged 28 commits into from
Dec 1, 2024
Merged

Begin Refactoring LigandMPNN CLI Call to use Metal #56

merged 28 commits into from
Dec 1, 2024

Conversation

zachcp
Copy link
Owner

@zachcp zachcp commented Nov 30, 2024 •
edited
Loading

  • adding Metal Feature to attempt speedup
  • resulted in fixes to building/loading the model weights
  • hitting several metal /CPU difference.

Mac Air M1:
Beginning: 274 seconds
Current: 9 seconds

30x speedup by using the Metal Device instead of CPU device.

# command
RUST_BACKTRACE=1  cargo instruments -t time \
  --bin ferritin-featurizers \
  -- run --seed 111 \
  --pdb-path ferritin-test-data/data/structures/1bc8.cif \
  --model-type protein_mpnn \
  --out-folder testout

image

image

Requires: huggingface/candle#2656 and huggingface/candle#2653

zachcp added 28 commits November 30, 2024 12:19
@zachcp
begin factoring out dtype conversions
9370614
@zachcp
dtype conversion pass
532adca
@zachcp
remove contiguous calls.
c1d41f3
@zachcp
a few more contiguous calls removed
2a380d2
@zachcp
a few more contiguous calls removed
74c8490
@zachcp
cleanip
9538a28
@zachcp
cleanup
f94c8a2
@zachcp
update device passing
d0f55ab
@zachcp
update utilities
9d15846
@zachcp
I64->U32
a646449
@zachcp
trackin gdown device loading
07cb96d
@zachcp
more Metal work
928f994
@zachcp
walk through to the next wrror in gathering edges...
bb0d8b1
@zachcp
update Cargo
292cfa4
@zachcp
git coords
21d15b4
@zachcp
update deps andmove to U32
db14530
@zachcp
clean up prints
8649737
@zachcp
find the next issue
1cd6279
@zachcp
move along for more meta;
28616bc
@zachcp
another F32 conversion
d8ed3cc
@zachcp
move down the process
ed79614
@zachcp
further along
84540e3
@zachcp
more metal code
2a0b5a2
@zachcp
move further down the stack
ac13a5c
@zachcp
cleanup prints. I am now troublshooting a Metal Scatter-add
dc86293
@zachcp
remove prints an duse the Metal ops form my branch
f735a51
@zachcp
update cargo lock
342e92b
@zachcp
more print removals
f52bb2f
@zachcp zachcp changed the title Begin Refactoring Begin Refactoring LigandMPNN CLI Call to use Metal Dec 1, 2024
@zachcp zachcp marked this pull request as ready for review December 1, 2024 15:57
@zachcp zachcp merged commit e83f661 into main Dec 1, 2024
1 check failed
@zachcp zachcp deleted the 20241130-ligandmpnn-reactor-pass branch December 1, 2024 15:59
@zachcp zachcp mentioned this pull request Dec 1, 2024
Open
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
1 participant
@zachcp