Add support for lDDT computation #699

padix-key · 2024-11-08T15:27:05Z

Resolves #685.

codspeed-hq · 2024-11-08T15:47:59Z

CodSpeed Performance Report

_{Comparing padix-key:lddt (4c746c3) with main (aecc27d)}

✅ 51 untouched benchmarks
🆕 8 new benchmarks

	Benchmark	`main`	`padix-key:lddt`	Change
🆕	`benchmark_lddt[False-all]`	N/A	214.2 ms	N/A
🆕	`benchmark_lddt[False-atom]`	N/A	295.3 ms	N/A
🆕	`benchmark_lddt[False-chain]`	N/A	301.8 ms	N/A
🆕	`benchmark_lddt[False-residue]`	N/A	307.1 ms	N/A
🆕	`benchmark_lddt[True-all]`	N/A	904.7 ms	N/A
🆕	`benchmark_lddt[True-atom]`	N/A	1.9 s	N/A
🆕	`benchmark_lddt[True-chain]`	N/A	1.9 s	N/A
🆕	`benchmark_lddt[True-residue]`	N/A	1.9 s	N/A

padix-key marked this pull request as ready for review November 8, 2024 15:27

padix-key force-pushed the lddt branch 3 times, most recently from 7532607 to 96ead33 Compare November 13, 2024 12:44

padix-key mentioned this pull request Dec 20, 2024

Usage for structure prediction tasks #726

Open

padix-key force-pushed the lddt branch from 96ead33 to cf25044 Compare January 6, 2025 13:52

padix-key temporarily deployed to publish January 6, 2025 14:21 — with GitHub Actions Inactive

padix-key added 2 commits January 6, 2025 16:58

Add support for lDDT computation

0af0a03

Support symmetric and masked lDDT

4c746c3

padix-key force-pushed the lddt branch from cf25044 to 4c746c3 Compare January 6, 2025 15:58

padix-key temporarily deployed to publish January 6, 2025 16:21 — with GitHub Actions Inactive

padix-key merged commit 226f2b4 into biotite-dev:main Jan 6, 2025
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