https://github.com/bioinsilico/rcsb-embedding-training-generator

Collection of scripts to generated training set based on TM-score for training embedding search.
https://github.com/bioinsilico/rcsb-embedding-training-generator

Last synced: 3 months ago
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Collection of scripts to generated training set based on TM-score for training embedding search.

• Host: GitHub
• URL: https://github.com/bioinsilico/rcsb-embedding-training-generator
• Owner: bioinsilico
• License: bsd-3-clause
• Created: 2024-05-18T00:53:39.000Z (about 1 year ago)
• Default Branch: master
• Last Pushed: 2025-02-02T19:27:57.000Z (4 months ago)
• Last Synced: 2025-02-02T20:21:00.973Z (4 months ago)
• Language: Python
• Size: 442 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
## RCSB PDB Embedding Training Generator

Collection of scripts to generated training set based on TM-score for training embedding search.

### MPI test

```shell

python tm_score_list.py \

  --pdb_path /Users/joan/data/pdb \

  --us_align_bin /Users/joan/devel/rcsb-embedding-training-generator/resources/us-align/USalign \

  --list_file /Users/joan/devel/rcsb-embedding-training-generator/target/instance30_list.tsv \

  --out_path /Users/joan/tmp \

  --rank 0 \

  --size 4

```