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 weeks ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 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。
  ☆48Updated 3 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…
  ☆40Updated last month
• bigd4 / PyNEP
  A python interface of NEP
  ☆54Updated 5 months ago
• MabinogiX / dp-tutorial
  ☆16Updated 2 years ago
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆83Updated 2 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated last week
• oekosheri / GB_code
  A grain boundary generation code
  ☆67Updated last year
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆84Updated 3 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.
  ☆24Updated last month
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆118Updated 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
  ☆53Updated 2 months ago
• 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…
  ☆55Updated 5 years ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆56Updated this week
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆79Updated 6 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 7 months ago
• VASPsol / VASPsol
  ☆49Updated last month
• Roy-Kid / extending-lammps-zh
  我盗版我自己
  ☆70Updated 2 years ago
• BigBroSci-LVTHW / LVTHW
  ☆56Updated 6 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆34Updated 7 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 6 months ago
• lingtikong / VACF_PDOS
  ☆11Updated last year
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 2 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• nuwan-d / graphene_tensile_test
  LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
  ☆32Updated 4 years ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆114Updated 3 weeks ago
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago