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nicsall

A software to analyze induced magnetic fields, chemical shielding, NICS and related properties.

niedoida

Niedoida is a general-purpose quantum-chemical and microelectrostatic package

nlib

The book "Annotated Algorithms in Python" and the nlib.py library

nlp-project-group27

Repository for code and files for NLP Group 27 (Member: Nishit Shivhre). Project title: Text Generation using LSTM RNNs

nmrglue

A module for working with NMR data in Python

node2vec

node2vec-1

node2vec-2

Node2vec with tensorflow

node2vec-3

Implementation of the node2vec algorithm.

nomad

NOMAD - A blackbox optimization software

nonconformist

Python implementation of the conformal prediction framework.

nrlmol_basis_set

NRLMOL basis set

nsd-k-cliques

Algorithm to find communities in a graph.

nuclear-magnetic-resonance-books

"For magnetic fields that can be routinely produced in the laboratory, the transitions between energy levels for nuclear magnetic dipoles occur in the radio-frequency range, and the transitions between energy levels for unpaired electron spins occur in the microwave range. Nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) yield such valuable structural information that they have become indispensable in chemistry."― Robert J. Silbey

numba

NumPy aware dynamic Python compiler using LLVM

nwchem

NWChem: Open Source High-Performance Computational Chemistry

nwchem-feedstock

A conda-smithy repository for nwchem.

nwchem-singularity

nwchem_fa

My Second Project

nwchem_lanthanides

nxviz

Visualization Package for NetworkX

obliquetree

ocdft

ocdft_pccp

Paper on Orthogonality Constrained Density Functional Theory for X-Ray Spectra With Application to Adenine and Thymine K-Edge

ocean

BSE code for core spectroscopy

oglearn

ogrisel's utility extensions for scikit-learn

ogolem

This is the open-source ogolem framework for GA-based global optimization.

oguilem

A graphical interface for easy OGOLEM setups

ohmnet

Unsupervised feature learning in multi-layer networks

olcao

The Orthogonalized Linear Combination of Atomic Orbitals package.