pycosmosac:宇宙囊模型的一般实现

上传者: 42131628 | 上传时间: 2022-05-20 13:36:46 | 文件大小: 157KB | 文件类型: ZIP
毕科莫萨克 COSMO-SAC模型的通用Python实现。 安装 在顶层目录 pip install .

文件下载

资源详情

[{"title":"( 55 个子文件 157KB ) pycosmosac:宇宙囊模型的一般实现","children":[{"title":"pycosmosac-master","children":[{"title":".travis.yml <span style='color:#111;'> 627B </span>","children":null,"spread":false},{"title":".coveragerc <span style='color:#111;'> 680B </span>","children":null,"spread":false},{"title":"pycosmosac","children":[{"title":"molecule","children":[{"title":"test","children":[{"title":"150-13-0.cosmo <span style='color:#111;'> 67.97KB </span>","children":null,"spread":false},{"title":"test_mol.py <span style='color:#111;'> 1003B </span>","children":null,"spread":false}],"spread":true},{"title":"mole.py <span style='color:#111;'> 12.69KB </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 50B </span>","children":null,"spread":false},{"title":"cavity.py <span style='color:#111;'> 334B </span>","children":null,"spread":false}],"spread":true},{"title":"sigma","children":[{"title":"test","children":[{"title":"test_sigma.py <span style='color:#111;'> 2.27KB </span>","children":null,"spread":false},{"title":"h2o.cosmo <span style='color:#111;'> 15.04KB </span>","children":null,"spread":false}],"spread":true},{"title":"__init__.py <span style='color:#111;'> 60B </span>","children":null,"spread":false},{"title":"sigma.py <span style='color:#111;'> 8.18KB </span>","children":null,"spread":false}],"spread":true},{"title":"ac","children":[{"title":"ac.py <span style='color:#111;'> 10.54KB </span>","children":null,"spread":false},{"title":"test","children":[{"title":"butane.cosmo <span style='color:#111;'> 66.87KB </span>","children":null,"spread":false},{"title":"test_ac.py <span style='color:#111;'> 2.16KB </span>","children":null,"spread":false},{"title":"h2o.cosmo <span style='color:#111;'> 15.04KB </span>","children":null,"spread":false}],"spread":true},{"title":"__init__.py <span style='color:#111;'> 55B </span>","children":null,"spread":false}],"spread":true},{"title":"param","children":[{"title":"test","children":[{"title":"Hsieh_2010.json <span style='color:#111;'> 219B </span>","children":null,"spread":false},{"title":"test_param.py <span style='color:#111;'> 1000B </span>","children":null,"spread":false}],"spread":true},{"title":"__init__.py <span style='color:#111;'> 71B </span>","children":null,"spread":false},{"title":"parameters.py <span style='color:#111;'> 1.62KB </span>","children":null,"spread":false},{"title":"data.py <span style='color:#111;'> 2.04KB </span>","children":null,"spread":false}],"spread":true},{"title":"__init__.py <span style='color:#111;'> 0B </span>","children":null,"spread":false},{"title":"cosmo","children":[{"title":"cosmo.py <span style='color:#111;'> 728B </span>","children":null,"spread":false},{"title":"test","children":[{"title":"test_cosmo.py <span style='color:#111;'> 1.16KB </span>","children":null,"spread":false},{"title":"h2o.cosmo <span style='color:#111;'> 15.04KB </span>","children":null,"spread":false}],"spread":true},{"title":"__init__.py <span style='color:#111;'> 42B </span>","children":null,"spread":false},{"title":"read_cosmo_bagel.py <span style='color:#111;'> 2.43KB </span>","children":null,"spread":false}],"spread":true},{"title":"rs","children":[{"title":"test","children":[{"title":"butane.cosmo <span style='color:#111;'> 66.87KB </span>","children":null,"spread":false},{"title":"h2o.cosmo <span style='color:#111;'> 15.04KB </span>","children":null,"spread":false}],"spread":true},{"title":"__init__.py <span style='color:#111;'> 50B </span>","children":null,"spread":false},{"title":"rs.py <span style='color:#111;'> 3.99KB </span>","children":null,"spread":false}],"spread":true},{"title":"utils","children":[{"title":"constants.py <span style='color:#111;'> 197B </span>","children":null,"spread":false},{"title":"test","children":[{"title":"test_thermo.py <span style='color:#111;'> 801B </span>","children":null,"spread":false},{"title":"test_elements.py <span style='color:#111;'> 1.04KB </span>","children":null,"spread":false},{"title":"test_antoine.py <span style='color:#111;'> 672B </span>","children":null,"spread":false}],"spread":true},{"title":"misc.py <span style='color:#111;'> 187B </span>","children":null,"spread":false},{"title":"elements.py <span style='color:#111;'> 6.71KB </span>","children":null,"spread":false},{"title":"antoine.py <span style='color:#111;'> 2.18KB </span>","children":null,"spread":false},{"title":"__init__.py <span style='color:#111;'> 57B </span>","children":null,"spread":false},{"title":"thermo.py <span style='color:#111;'> 1.68KB </span>","children":null,"spread":false}],"spread":true}],"spread":true},{"title":"LICENSE <span style='color:#111;'> 1.05KB </span>","children":null,"spread":false},{"title":"requirements.txt <span style='color:#111;'> 61B </span>","children":null,"spread":false},{"title":"examples","children":[{"title":"thermo","children":[{"title":"free_energy","children":[{"title":"carbofuran.cosmo <span style='color:#111;'> 145.71KB </span>","children":null,"spread":false},{"title":"h2o.sigma <span style='color:#111;'> 1.70KB </span>","children":null,"spread":false},{"title":"h2o.json <span style='color:#111;'> 616B </span>","children":null,"spread":false},{"title":"hydration_energy.py <span style='color:#111;'> 2.74KB </span>","children":null,"spread":false},{"title":"carbofuran.sigma <span style='color:#111;'> 1.70KB </span>","children":null,"spread":false},{"title":"carbofuran.json <span style='color:#111;'> 2.28KB </span>","children":null,"spread":false},{"title":"README.md <span style='color:#111;'> 585B </span>","children":null,"spread":false},{"title":"h2o.cosmo <span style='color:#111;'> 15.04KB </span>","children":null,"spread":false}],"spread":true}],"spread":true},{"title":"mobley","children":[{"title":"vapor_pressure_mobley.json <span style='color:#111;'> 24.56KB </span>","children":null,"spread":false}],"spread":true}],"spread":true},{"title":"setup.py <span style='color:#111;'> 1.06KB </span>","children":null,"spread":false},{"title":".gitignore <span style='color:#111;'> 1.76KB </span>","children":null,"spread":false},{"title":".codecov.yml <span style='color:#111;'> 125B </span>","children":null,"spread":false},{"title":"README.md <span style='color:#111;'> 400B </span>","children":null,"spread":false}],"spread":true}],"spread":true}]

评论信息

免责申明

【只为小站】的资源来自网友分享,仅供学习研究,请务必在下载后24小时内给予删除,不得用于其他任何用途,否则后果自负。基于互联网的特殊性,【只为小站】 无法对用户传输的作品、信息、内容的权属或合法性、合规性、真实性、科学性、完整权、有效性等进行实质审查;无论 【只为小站】 经营者是否已进行审查,用户均应自行承担因其传输的作品、信息、内容而可能或已经产生的侵权或权属纠纷等法律责任。
本站所有资源不代表本站的观点或立场,基于网友分享,根据中国法律《信息网络传播权保护条例》第二十二条之规定,若资源存在侵权或相关问题请联系本站客服人员,zhiweidada#qq.com,请把#换成@,本站将给予最大的支持与配合,做到及时反馈和处理。关于更多版权及免责申明参见 版权及免责申明