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Add Casanovo-DB Functionality #325

Merged
merged 95 commits into from
Nov 18, 2024
Merged

Add Casanovo-DB Functionality #325

merged 95 commits into from
Nov 18, 2024

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VarunAnanth2003
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Added functionality of Casanovo-DB that builds on top of Tide (Phase 1).

This is accomplished through two new commands, annotate and db-search.

Most of the functionality is created through subclassing existing classes as only minor modifications are needed to get the data flow to work.

@VarunAnanth2003 VarunAnanth2003 added the enhancement New feature or request label Apr 27, 2024
@bittremieux
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Can you make sure the unit tests succeed?

On a quick glance, without looking at the content of the code, please also adhere to the maximum line length for strings (both within code and docstrings). Black doesn't do this automatically.

@VarunAnanth2003
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Can you make sure the unit tests succeed?

On a quick glance, without looking at the content of the code, please also adhere to the maximum line length for strings (both within code and docstrings). Black doesn't do this automatically.

I will definitely take a look at the line lengths and fix them if they are over the maximum.

As for the unit tests, the only one failing is the test_initialize_model test, which seems to be the issue we are waiting on in PR #301 .

FAILED tests/unit_tests/test_runner.py::test_initialize_model - RuntimeError: MPS backend out of memory (MPS allocated: 0 bytes, other allocations: 0 bytes, max allowed: 7.93 GB). Tried to allocate 1024 bytes on private pool. Use PYTORCH_MPS_HIGH_WATERMARK_RATIO=0.0 to disable upper limit for memory allocations (may cause system failure).

@bittremieux
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No, I don't think that this is the same problem. #301 tries to do tests on the Mac M1 chips, which indeed doesn't work. The current tests on dev only use the old Mac architectures though, and should run successfully (as with the previous state of this branch).

@bittremieux
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@VarunAnanth2003 To avoid running on MPS-supported macOS versions, in the GitHub test action, change macos-latest to macos-13.

@bittremieux
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The macOS version has been fixed in #327, so just merge dev into your PR.

Move macOS test fixes from dev
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codecov bot commented May 7, 2024

Codecov Report

Attention: Patch coverage is 95.77465% with 9 lines in your changes missing coverage. Please review.

Project coverage is 94.61%. Comparing base (0d1df14) to head (18999cf).
Report is 1 commits behind head on dev.

Files with missing lines Patch % Lines
casanovo/data/db_utils.py 94.62% 5 Missing ⚠️
casanovo/denovo/model_runner.py 91.30% 2 Missing ⚠️
casanovo/denovo/dataloaders.py 96.00% 1 Missing ⚠️
casanovo/denovo/model.py 97.82% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##              dev     #325      +/-   ##
==========================================
+ Coverage   94.37%   94.61%   +0.24%     
==========================================
  Files          13       14       +1     
  Lines        1102     1282     +180     
==========================================
+ Hits         1040     1213     +173     
- Misses         62       69       +7     

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@bittremieux bittremieux merged commit 17bb3f2 into dev Nov 18, 2024
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@bittremieux bittremieux deleted the dev_db_search branch November 18, 2024 20:21
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4 participants