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Zero Int's Projects

benchmarksets icon benchmarksets

Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

fesetup icon fesetup

A tool for setting up free energy simulations.

fontspec icon fontspec

Font selection in LaTeX for XeTeX and LuaTeX

gosl icon gosl

Go scientific library for machine learning, linear algebra, FFT, Bessel, elliptic, orthogonal polys, geometry, NURBS, numerical quadrature, 3D transfinite interpolation, random numbers, Mersenne twister, probability distributions, optimisation, graph, plotting, visualisation, tensors, eigenvalues, differential equations, more.

handson-ml2 icon handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

heisenberg icon heisenberg

Chemical quantum computation, self-consistant field method of closed-shell RHF equation

libint icon libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

lshort icon lshort

The Not So Short Introduction to LaTeX

mpitutorial icon mpitutorial

MPI programming lessons in C and executable code examples

openmm icon openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

qcelemental icon qcelemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

watermark icon watermark

An IPython magic extension for printing date and time stamps, version numbers, and hardware information

zero-theme icon zero-theme

A minimal and simple two-column Jekyll theme, based on bootstrap 3. https://lszero.github.io/

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