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咿呀咿呀哟1

新虫 (小有名气)

[求助] 基于pyton 的chemshell 已有1人参与

哪位帮忙下载下开源的基于python的Chemshell
https://doi.org/10.1021/acs.jpclett.7b00688
谢谢

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咿呀咿呀哟1

新虫 (小有名气)

The Python-based version of ChemShell is open source software and the first beta release (v19.0) is available for download directly from this site (please register a website account to access the download page).We regard Py-ChemShell 19.0 as suitable for production calculations on materials systems, although you will find its feature set is more limited than Tcl-ChemShell. We do not currently recommend Py-ChemShell for calculations on biological systems, as automated import of biomolecular force fields is scheduled for a future release.

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3楼2019-07-22 21:34:03
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beefly

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地沟油冶炼专家

Chemshell不是开源的,得花钱买
beefly《西太平洋大学现代英汉词典》[bi:fli]牛肉一般地
2楼2019-07-22 20:48:27
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beefly

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地沟油冶炼专家

chemshell是c语言写的。刚听说还有python版本的
beefly《西太平洋大学现代英汉词典》[bi:fli]牛肉一般地
6楼2019-07-23 19:43:36
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我是考研狗

新虫 (小有名气)

能不能分享一下呢,谢谢,814941276@qq.com
7楼2019-12-26 12:59:17
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