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Write a Python script that will parse PubChem to download all chemicals with given properties and run this script

$30-250 USD

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已发布超过 6 年前

$30-250 USD

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There is a public website with all chemical compunds call PubChem: [login to view URL] We need to download information about all molecules with less than 11 atom. It can be done in the following way: 1. Use advanced search available on the website: [login to view URL] and search for the following string: ((0:10[HeavyAtomCount]) AND 0:0[TotalFormalCharge]) AND 0:0[IsotopeAtomCount] It will return the list of all compunds with less than 10 heavy atoms, but some of them are ionic compunds not molecules and some contain more than 10 atoms. 2. We need to sort the results by complexity 3. Then we need to check all the results and use two filters: Filter A: remove compounds with more than 10 atoms in Molecular Formula Filter B: remove compunds that contain a dot sign (".") in Canonical SMILES 4. All the components that are not removed by those filters should be collected in CSV text file that contains the following columns: * PubChem CID * Molecular Formula * Canonical SMILES * Molecular Weight * Chemical Names * IUPAC Name * If 2D structure XML file is presented (yes/no) * If 3D structure XML file is presented (yes/no) 5. For each compound that match our filters we should also download it 2D and 3D structures as XML files and place them in two folders. File names should be like "[login to view URL]" and "[login to view URL]" where 101826982 is PubChem CID of this compound The results: The results of this project should be A. A ZIP archive with many xml files with 2D and 3D structures of the and one [login to view URL] file. B. Python script(s) that generates this CSV file and download XML files Deadline for this project: August 24th, 2017, 13:00 London time ========================== For your information: PubChem supports API that makes this project much easier: REST Tutorial: [login to view URL] REST Documentation: [login to view URL] Other API documentation: [login to view URL] List of properties: [login to view URL] Example how to download needed properties of several substances: [login to view URL],129251212,5460638,5460696/property/MolecularFormula,MolecularWeight,CanonicalSMILES,Complexity,Charge,HeavyAtomCount,IsotopeAtomCount/XML Python wrapper for PubChem: [login to view URL]
项目 ID: 14952675

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活跃7 年前

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First of all thank you for excellent description! I can create Python scraper and collect all data you want (including 2D and 3D files) in less than 3 days. Thanks. Roman Relevant Skills and Experience I Python developer and one of the best web scraping experts here that's why I'm sure you'll be impressed with my work. I'll create Scrapy spider which will collect all information you want. Proposed Milestones $170 USD - Python script + data
$170 USD 在3天之内
4.9 (404条评论)
7.7
7.7
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We are experts in software development, worked in companies like Adobe, Dell etc. Java, PHP, Python, HTML, CSS, Javascript, Selenium with Python and Java, Web Development and Web Design, Web Scraping Relevant Skills and Experience We are experts in software development, worked in companies like Adobe, Dell etc. Java, PHP, Python, HTML, CSS, Javascript, Selenium with Python and Java, Web Development and Web Design, Web Scraping Proposed Milestones $155 USD - lets chat
$155 USD 在3天之内
4.9 (29条评论)
6.2
6.2
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Hello Client, Hope you are doing well ! I have great experience of extracting information from websites . I provide best solutions at fastest speed with the cheapest cost. Your satisfaction is my only priority. I would like to take a chance to show my experience.I have more than 8 years of experience in Scraping,Crawling and Scraping tools,: Python,Data Processing,Data Entry,Excel,,Web Search,Data Mining,Data Science,lead collection.I am a highly skilled provider seeking an opportunity to leverage my expertise and demonstrate my high level of technical an administrative skills,I have completed 10to20+ projects on my up work profile in Scraping,Crawling and Scraping tools,: Python,Data Processing,Data Entry,Excel,,Web Search,Data Mining,Data Science,lead collection. I can achieve the results that you are asking for. Clients willing to have long term project relationship are most welcome Thanks.
$30 USD 在0天之内
4.9 (7条评论)
5.2
5.2
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I read your project brief. I can do your project by using PubChemPy wrapper of Python to search for chemicals on PubChem according to the criteria you specified and deliver a CSV file with molecular data. Relevant Skills and Experience I'm an experienced Python developer. I've developed several command-line tools in Python. I also have experience in other programming languages such as PHP, JavaScript etc. Feel free to contact me if you would like to ask any question or want some clarifications. My timezone is GMT +05:00. Proposed Milestones $90 USD - 50% Project Completion $90 USD - 100% Project Completion
$180 USD 在5天之内
4.7 (17条评论)
4.6
4.6
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Search Pub chem for 10 atom compounds. Filter down the results based on the specified criteria. convert to csv. Relevant Skills and Experience Python Web Automation Web Services Chemistry Software Architecture Algorithm Proposed Milestones $155 USD - csv and py script
$155 USD 在3天之内
4.3 (12条评论)
3.9
3.9
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Hi, I'm a professional software engineer with 4 years of experience in Python, Java, Scala. I can help you with the download of molecular data.
$110 USD 在3天之内
4.7 (5条评论)
2.8
2.8
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Yes, I am new here, but we have been working on Python,Django,Web Crawling/Data Scraping for last 7 years. Relevant Skills and Experience We have used Flask and iFrame to achieve the desired results on Python 2 & 3. Proposed Milestones $977 USD - End I saw your project details and found interesting. Can very well execute this with your support.
$977 USD 在3天之内
4.6 (5条评论)
2.2
2.2
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Hi, I have a web scraping history with python. I fully undestood your userstories and I also had a look API for it. I can provide you that you want.
$150 USD 在2天之内
4.5 (2条评论)
1.6
1.6
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A proposal has not yet been provided
$110 USD 在1天之内
5.0 (3条评论)
1.4
1.4
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Hello, I have over 4 years of professional python experience. Let me help you with the implementation of your python tool. Relevant Skills and Experience Over 4 years of professional python programming experience. Experience with the REST API and python data management packages (e.g., pandas which can be used to nicely filter the acquired data). Proposed Milestones $100 USD - Delivery of the python script.
$88 USD 在5天之内
5.0 (1条评论)
0.6
0.6
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Hello. We were carefully reviewing the requirements of the job description, so our developers can work on your project without delay. We have years of working on projects related on any available CMS, from "scratch" with core php and php-frameworks(Yii/Yii2, Laravel, CodeIgniter), JavaScript, jQuery, AJAX, HTML5, CSS3, Bootstrap, javascript-frameworks, 3d desidg, graphic design etc. However, I shall discuss about the requirements and functionalities in details to have a better understanding about time frame and price. We are glad to chat with You and discuss all in details. Contact us and we will reply immediately. Waiting for Your reply! Best regards.
$257 USD 在10天之内
0.0 (0条评论)
0.0
0.0
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Hi, I have gone check your projects descriptions so I can do it perfectly. I have 5 years+ experience in Software development, Software architecture, Python, Java. I have completed lot of projects in Python which is related to your projects descriptions. My Skills: Software development, Software architecture, Asterisk PBX, Java, Python, C programming, .Net, OCR, HTML, Meta traders, Engineering. Further details will be discuss over chat Thanks.
$30 USD 在3天之内
0.0 (0条评论)
0.0
0.0
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Hi, I hope you have not granted this project to someone else :) I have a script ready that does the followings: 1. get list of cids that match your search criteria 2. pull the required properties for all cids 3. stores all the info in local sqlite db so that future runs will be a lot faster as we will only need to pull properties of new molecules. 4. extracts from local db all molecules that match given filters and saves them in csv file. 5. what is left is pulling 2D/3D xml which should be doable in 1 day. Hope to hear from you soon. Best Regards, -Ray-
$165 USD 在2天之内
0.0 (0条评论)
0.0
0.0
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Parse compounds from PubChem website, filter and scrape the results to extract desired information, to be delivered in .zip and .csv files, with specific naming scheme. PubChem's APIs are available. Relevant Skills and Experience I'm a Python expert, with a lot of experience in parsing and scrapping data from webpages, and a fast learner, to interact with PubChem's APIs. Proposed Milestones $111 USD - Sample files for validation $111 USD - Complete dataset
$222 USD 在3天之内
0.0 (0条评论)
0.0
0.0

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Chalfnt St Giles, United Kingdom
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