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qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.
Python 37 12
Build multi-conformer models for ligands
Python 10 3
Kino-Geometric Sampling
C++ 3 1
qFit-2.0
C++ 1
PNP solver for studying the transport in aoa
MATLAB
multiscale electro-diffusion reaction transport model
Fitting a structural ensemble to NMR chemical shifts
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