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DeepModeling Tutorial 0.1 documentation

Getting Started

  • 1. Using DeePMD-Kit
    • 1.1. Introduction
    • 1.2. Installation
    • 1.3. Theory
    • 1.4. How to Setup a DeePMD-kit Training within 5 Minutes
    • 1.5. Handson-Tutorial(v2.0.3)
  • 2. Using DP-GEN
    • 2.1. Install DP-GEN
    • 2.2. Hands-on tutorial for DP-GEN (v0.10.6)

Case Studies

  • 1. Practical-Guidelines-for-DP
    • 1.1. Practical Guidelines for DP
  • 2. Convergence-Test
    • 2.1. Convergence Test
  • 3. Gas-Phase
    • 3.1. Simulation of the oxidation of methane
  • 4. Mg-Y_alloy
    • 4.1. Mg-Y alloy system
  • 5. Transfer-learning
    • 5.1. Transfer-learning

Resources

  • 1. Learning Resources
  • 2. Writing Tips

Q & A

  • Q & A
  • .md

Learning Resources

Contents

  • 1.1. Some Video Resources:
    • 1.1.1. Basic theoretical courses:
    • 1.1.2. DeePMD-kit and DP-GEN

1. Learning Resources#

Here is the learning Resources:

  • Video Tutorials(Chinese)

1.1. Some Video Resources:#

1.1.1. Basic theoretical courses:#

  • 基于深度学习的分子动力学模拟

  • 强化分子动力学简介

  • DeePKS: a machine learning assisted electronic structure model

1.1.2. DeePMD-kit and DP-GEN#

  • DeePMD-kit和DP-GEN安装:刘锦程亲授

  • DeePMD-kit和DP-GEN简单使用:Hackthon演讲

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5.1. Transfer-learning

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2. Writing Tips

Contents
  • 1.1. Some Video Resources:
    • 1.1.1. Basic theoretical courses:
    • 1.1.2. DeePMD-kit and DP-GEN

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