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sasa
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a python package for the interfacial analysis of molecular simulations
pythonmolecular-dynamicsopenmmscientific-computingdata-analysislammpscharmmsimulationsmolecular-simulationsnamdgromacsinterfacesmdanalysismdtrajwillard-chandlerinterfacial-atomssasa
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Mar 19, 2025 - Python
The first tensorrt implementation for point-based 3d detector, i.e., 3DSSD,SASA,IA-SSD.
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Jun 25, 2023 - C++
improved calculation of protein's solvent accessible surface area and much more protien data bank related tools
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Sep 10, 2022 - Python
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