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100-days-of-ml-code

100-Days-Of-ML-Code中文版

100-days-of-ml-code-1

100 Days of ML Coding

100days-ml-code

100天机器学习 （翻译+ 实操）

3

GPU-accelerated micromagnetic simulator

achemso

LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals

acoustic-toolbox

Mirroring http://oalib.hlsresearch.com/Modes/AcousticsToolbox/

acse-9-independent-research-project-wade003

acse-9-independent-research-project-Wade003 created by GitHub Classroom

adaptive

:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions

afepack

Adaptive Finite Element Package

arpack

ARPACK Femhub package

arpack-ng

Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.

arxiv-sanity-preserver

Web interface for browsing, search and filtering recent arxiv submissions

atomistic-simulation

A collection of Python code for setting up and harvesting results from CASTEP and LAMMPS simulations.

avogadro

Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

awesome-deep-learning-papers

The most cited deep learning papers

bandftn

Bandstructure calculations using the empirical pseudopotential method.

bands-inspect

Utilities for creating, comparing and plotting bandstructures of materials.

bands4vasp

bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors and spectral functions.

bandup

BandUP: Band Unfolding code for Plane-wave based calculations

bellhop-sims

blopex

boltzgnu

BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data

book-template

A LaTeX template I used for pimbook

brenmy

maya scripts, plugins and general stuff

brillouinzones

Programs for constructing Brillouin zones in three- and two-dimensional space.

calypso-gap

CALYPSO-GAP the machine learning potentials based Gaussian process regression for multi-species system under high pressure

castep-sumo-tutorial

castep2boltz

An interface between CASTEP and BoltzTraP

castep2shengbte

Castep2ShengBTE interface

castepy

Python routines to generate CASTEP input files and process output.