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Found 4 result(s)

OpenKIM

Knowledgebase of Interatomic Models

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OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.

depositar

研究資料寄存所

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depositar — taking the term from the Portuguese/Spanish verb for to deposit — is an online repository for research data. The site is built by the researchers for the researchers. You are free to deposit, discover, and reuse datasets on depositar for all your research purposes.

Southern California Earthquake Center

SCEC

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SCEC's mission includes gathering data on earthquakes, both in Southern California and other locales; integrate the information into a comprehensive understanding of earthquake phenomena; and communicate useful knowledge for reducing earthquake risk to society at large. The SCEC community consists of more than 600 scientists from 16 core institutions and 47 additional participating institutions. SCEC is funded by the National Science Foundation and the U.S. Geological Survey.

ChEMBL

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ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.