Topic: qmmm Goto Github
Some thing interesting about qmmm
Some thing interesting about qmmm
qmmm,QM/DMD engine. Protein Hybrid Discrete Dynamics/DFT
Organization: alexandrova-lab-ucla
qmmm,:arrow_right_hook: QM/MM interfacing in Python :leftwards_arrow_with_hook:
Organization: insilichem
Home Page: https://garleek.readthedocs.io
qmmm,Code for training and running reactive molecular dynamics and QM/MM simulations
User: jstoppelman
qmmm,RCBS.py (Reactivity of Chemical and Biochemical Systems) is a Python package that contains several scripts, functions and classes that simplify the analysis of chemical and biochemical simulations.
Organization: molbiomeduab
qmmm,Python interface for subtractive QM/MM calculations with AMOEBA polarizable force field using Gaussian16 and Tinker.
Organization: wmcsameeragroup
qmmm,Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics
User: zlcrrrr
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