Search Results for ".sdf files"
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Showing 2 open source projects for ".sdf files"
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Managing your therapy and rehab practice is a time-consuming process. You spend hours on paperwork, billing, scheduling, and more. Raintree’s Therapy & Rehab EHR is here to help you manage your practice more efficiently. With our all-in-one solution, you’ll get the tools you need to streamline your therapy and rehab practice, improve patient care, and get back to doing what you love.
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Simplify every aspect of buying for your business in Order.co. From sourcing products to scaling purchasing across locations to automating your AP and approvals workstreams, Order.co is the platform of choice for growing businesses.
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An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
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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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