Topic: chemical-shifts Goto Github
Some thing interesting about chemical-shifts
Some thing interesting about chemical-shifts
chemical-shifts,Structure-Based Chemical Shift Assignment Method
User: atfrank
chemical-shifts,Fitting molecular Energies, Forces and Chemical shifts and Chemical Discovery with Scalable Gaussian Processes by Stochastic Variational Inference
Organization: chem-gp
chemical-shifts,Repository of the FANDAS code for prediction ssNMR spectra from structure
Organization: haddocking
chemical-shifts,A python library and command line program for plotting simulated 2D and 3D NMR spectra from assigned chemical shifts from the BMRB
User: ianfucci
Home Page: https://pypi.org/project/nightshift/
chemical-shifts,In silico chemical library engine for high-accuracy chemical property prediction
Organization: pnnl
chemical-shifts,This repository provides a Python implementation of the NapShift program to predict the backbone atoms' chemical shift values, from NMR protein PBD structures, using artificial neural networks.
User: vrettasm
chemical-shifts,Provides a Python implementation of the camcoil program (originally written in C) to estimate the random coil chemical shift values from a sequence (string) of amino-acids.
User: vrettasm
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