Alternatives and similar repositories for CompMatBook:

Users that are interested in CompMatBook are comparing it to the libraries listed below

• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆58Updated 2 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆57Updated 5 years ago
• YuanbaoQiang / lammps-data-processing
  针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。
  ☆44Updated 3 years ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆38Updated this week
• BigBroSci-LVTHW / LVTHW
  ☆56Updated 4 months ago
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆20Updated last month
• lingtikong / VACF_PDOS
  ☆11Updated last year
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆66Updated last month
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆53Updated 5 years ago
• VASPsol / VASPsol
  ☆47Updated last year
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆79Updated last week
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆116Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆53Updated 5 months ago
• Roy-Kid / extending-lammps-zh
  我盗版我自己
  ☆70Updated last year
• Angel-Jia / dp-tutorial
  ☆16Updated 2 years ago
• Shiliang2333 / PotentialForHEA
  收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
  ☆21Updated last month
• oekosheri / GB_code
  A grain boundary generation code
  ☆64Updated last year
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆34Updated this week
• bigd4 / PyNEP
  A python interface of NEP
  ☆50Updated 3 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆31Updated 5 months ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆81Updated 3 years ago
• atomly-materials-research-lab / GPTFF
  GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner
  ☆49Updated 3 weeks ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 4 months ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆78Updated 5 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated last month
• Angel-Jia / VASP-script
  ☆117Updated 6 years ago
• nuwan-d / graphene_tensile_test
  LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
  ☆30Updated 4 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 7 months ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆49Updated 3 years ago