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Search results for alchemical free energy calculations
alchemical-free-energy-calculations
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5 search results found
Openmmtools
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214
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Yank
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150
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Ligpargen
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22
Himap
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9
High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)
Remd_analysis
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6
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
Related Searches
Python Alchemical Free Energy Calculations (5)
Molecular Dynamics Alchemical Free Energy Calculations (4)
Openmm Alchemical Free Energy Calculations (3)
1-5 of 5 search results
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