Search Results for "python molecular"
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Showing 2 open source projects for "python molecular"
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Cloud tools for web scraping and data extractionAutomate web data collection with cloud tools that handle anti-bot measures, browser rendering, and data transformation out of the box. Extract content from any website, push to vector databases for RAG workflows, or pipe directly into your apps via API. Schedule runs, set up webhooks, and connect to your existing stack. Free tier available, then scale as you need to.
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SPIW - Scanning Probe Image Wizard
Scanning Probe Image Wizard - MATLAB Toolbox
...SPIEPy brings many SPIW algorithms to the Python user. -
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ParaSim
Parallelized calculation of molecular similarities
Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. As as special feature, ParaSim allows to store and and to access frequently...
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