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升级 NUPACK 4.1 并支持混合材料设计

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Lihatoo 2026-08-20 16:33:16 +08:00
parent 5daa60a464
commit c6189d857d
33 changed files with 5830 additions and 466 deletions
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.dockerignore
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@ -1,5 +1,8 @@
.git
.gitignore
.env
.sisyphus/
ltest.sh
__pycache__
*.pyc
*.pyo
@ -12,9 +15,9 @@ nupack-history-*.json
NUPACK.html
NUPACK_files
1.png
nupack/vendor/nupack-4.0.2.0/source
nupack/vendor/nupack-4.0.2.0/package/*.whl
!nupack/vendor/nupack-4.0.2.0/package/nupack-4.0.2.0-cp312-cp312-linux_x86_64.whl
nupack/vendor/nupack-4.1.0.1/source
nupack/vendor/nupack-4.1.0.1/package/*.whl
!nupack/vendor/nupack-4.1.0.1/package/nupack-4.1.0.1-cp312-cp312-linux_x86_64.whl
rna/*
!rna/ViennaRNA-2.7.2.tar.gz
runtime