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This can be written in any webframework: Django, Rails, etc. You can use angular, bootstrap or whatever frontend you want. Personally, I think angular helps with simple data manipulation.
https://ang…
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I am trying to use `CSD_mp_extract.py` to get molecules from CSD dataset, however i found the code only extracts smiles of molecules without 3D inforamtion of the molecule, could you update the code t…
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Our CTFs?
Include other CTFs?
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Hello,
I use RASPA2 for simulations of hydrogen adsorption by MOFs.I wanted to use some MOFs like IRMOF-20, SNU-70, UMCM-9, NU-100, MOF-74, HKUST-1, and many others. My concern is that these materi…
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**Avogadro version:**
- Avogadrolibs: 1.98.1 in the nightly built AppImage for Linux, packaged 2024-02-08 22:14, `md5sum` is `d6b0578d68f58a067ff0de74362b2aee Avogadro2.AppImage.zip`
- Qt: 5.15…
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The concept is that anything that works better as OpenFF crystal tools would be moved to an OpenFF repository that can be automatically tested and conda released, with explicit calls to OpenFF toolkit…
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practice에서 package.jason에 한 데로
"jest": {
"collectCoverageFrom": [
"src/**/*.{js,jsx,ts,tsx}",
"!src/index.tsx",
"!src/test-utils/*"
]
}
를 추가하고 test를 했습니다.
혹시 문제가 …
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안녕하세요? 수업 진행에 힘써주시는 조교분들께 항상 감사드립니다.
과제 수행 중 문의사항이 생겨 질문 드립니다, https://github.com/swsnu/swppfall2022/issues/108#issue-1401960170 와 거의 유사한 질문인 것 같지만 제가 궁금한 부분에 대한 답변이 아직 달리지 않은 것 같아 재차 질문 드립니다.
우선 …
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1. 我在源码中`\data\Test\coformers`中看到148个sdf文件,请教作者是如何生成sdf文件的?
2. 请教作者,如何根据文章中的限制条件,在剑桥数据库中筛选出合适的化合物?
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I need to add generated graph code so that graph generates based on practice time of the users.