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Maxim A. Dubinnyi's Projects

bmrb-stats icon bmrb-stats

Analyase BMRB database and print statistics of protein assignment methods

cara icon cara

Computer Aided Resonance Assignment (CARA)

cara-git icon cara-git

All files and folders required to compile CARA

ctpl icon ctpl

Modern and efficient C++ Thread Pool Library

lemon icon lemon

A framework for rapidly mining structural information from the Protein Data Bank

lmfit-py icon lmfit-py

Non-Linear Least Squares Minimization, with flexible Parameter settings, based on scipy.optimize.leastsq, and with many additional classes and methods for curve fitting

naf icon naf

NMR Application Framework

nmrex icon nmrex

Exploratory data science library for NMR and structural biology

nmrscan icon nmrscan

Scan NMR directory with raw data, print NMR usage statistics

rmsd icon rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

sirius icon sirius

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

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