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100-days-of-ml-code

100-Days-Of-ML-Code中文版

abtem

ab initio Transmission Electron Microscopy

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

awesome-deep-learning-papers

The most cited deep learning papers

awesome-paper-list

A curated list of repositories in which many NLP/CV/ML papers and related area resources are collected.

coredensity

Atomic electron density

custodian

A simple, robust and flexible just-in-time job management framework in Python.

deep_learning_object_detection

A paper list of object detection using deep learning.

deepmd-em

deepmd-kit

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

dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

dpgen

The deep potential generator

dpgen2

2nd generation of the Deep Potential GENerator

emst

Electron Microscopy Simulation Tutorial

exspy

EDS and EELS data analysis with HyperSpy

fac

FAC - Flexible Atomic Code by Ming Feng Gu

feff10

fpop

gos_demo

Tutorial on how to use Dirac GOS for EELS quantification

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.

hyperspy

Multidimensional data analysis

image_host

Host for images used in note, powered by PicGo

kmclib

A kinetic Monte Carlo Python/C++ library.

lammps-feedstock

A conda-smithy repository for lammps-dp.

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

matplotlib-scalebar

Provides a new artist for matplotlib to display a scale bar, aka micron bar.

minimal-light

A simple and elegant Jekyll theme for an academic personal homepage

moose

Multiphysics Object Oriented Simulation Environment

multem