ambertools topic
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ambertools repositories
acpype
174
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45
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OFFICIAL: AnteChamber PYthon Parser interfacE
pytraj
162
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38
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Python interface of cpptraj
gmx_MMPBSA
185
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61
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gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
AlphaPPImd
24
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2
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Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks