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Showing 3 open source projects for "scripts"
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Context for your AI agentsBuild data pipelines that feed your AI models and agents without managing infrastructure. Crawl any website, transform content, and push directly to your preferred vector store. Use 10,000+ tools for RAG applications, AI assistants, and real-time knowledge bases. Monitor site changes, trigger workflows on new data, and keep your AIs fed with fresh, structured information. Cloud-native, API-first, and free to start until you need to scale.
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OpenGrowth
OpenGrowth is a program which constructs de novo ligands for proteins.
...To use OpenGrowth, you will need OpenGrowth_1.0.zip and Resources_1.0.2.zip that can be found by clicking on the Files menu in the horizontal bar at the top (https://sourceforge.net/projects/opengrowth/files). OpenGrowthGUI, FOG2.0, and the 3Mer-Screen stand-alone can be found in OpenGrowth_1.0.zip. To prepare new fragments you need BuildingFragments_1.0.1.zip and the scripts for MD simulations are in MD-Scripts_1.0.1.zip. SMoG2016.tar.gz allows to compute a score with the newly developed function (J. Chem. Inf. Mod., http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00610). For any questions, please send emails exclusively at opengrowth-discuss@lists.sourceforge.net. -
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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PolySim
Polymer simulation utilites
...For specific non-pdb input/output of 2nd program there are convertation utils also available. Programs are expected to compile in gcc under cygwin or pure linux environment. Scripts to run many copies of program under pbs/torque cluster system are also available.
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