renkin 0.1.0__tar.gz

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Files changed (20) hide show
  1. renkin-0.1.0/.gitignore +21 -0
  2. renkin-0.1.0/Cargo.lock +1494 -0
  3. renkin-0.1.0/Cargo.toml +47 -0
  4. renkin-0.1.0/LICENSE +21 -0
  5. renkin-0.1.0/PKG-INFO +335 -0
  6. renkin-0.1.0/README.md +309 -0
  7. renkin-0.1.0/README_ja.md +297 -0
  8. renkin-0.1.0/data/benchmark_targets.smi +76 -0
  9. renkin-0.1.0/data/building_blocks.smi +277 -0
  10. renkin-0.1.0/demo/index.html +606 -0
  11. renkin-0.1.0/pyproject.toml +34 -0
  12. renkin-0.1.0/scripts/run_benchmark.sh +86 -0
  13. renkin-0.1.0/src/bin/benchmark.rs +166 -0
  14. renkin-0.1.0/src/chem_env.rs +526 -0
  15. renkin-0.1.0/src/lib.rs +35 -0
  16. renkin-0.1.0/src/main.rs +84 -0
  17. renkin-0.1.0/src/python.rs +64 -0
  18. renkin-0.1.0/src/score.rs +65 -0
  19. renkin-0.1.0/src/search.rs +298 -0
  20. renkin-0.1.0/src/wasm.rs +49 -0
renkin-0.1.0/.gitignore ADDED
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+ # ---- Rust ----
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+ /target/
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+ Cargo.lock
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+
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+ # ---- WASM build output ----
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+ /pkg/
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+
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+ # ---- Python ----
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+ .venv/
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+ *.whl
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+ *.egg-info/
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+ __pycache__/
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+ *.so
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+
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+ # ---- OS ----
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+ .DS_Store
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+
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+ # ---- Project-specific (not version-controlled) ----
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+ .env
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+ AGENTS.md
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+ tasks/