Alternatives and similar repositories for pyCV

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

• Jiaxuan-Ma / MatDesign
  MatDesign: a programming-free AI platform to predict and design materials
  ☆75Updated 5 months 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。
  ☆50Updated 4 years ago
• SUNCAT-Center / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆113Updated last year
• hidecode221b / LG4X
  A graphical user interface of Python lmfit package was developed for standard X-ray photoemission spectroscopy (XPS) curve fitting analys…
  ☆54Updated 6 months ago
• echemdata / galvani
  Read proprietary file formats from electrochemical test stations
  ☆61Updated 4 months ago
• kbknudsen / PyEIS
  PyEIS: A Python-based Electrochemical Impedance Spectroscopy simulator and analyzer
  ☆205Updated 2 years ago
• Roy-Kid / extending-lammps-zh
  我盗版我自己
  ☆75Updated 2 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆93Updated 4 months 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…
  ☆48Updated 6 months ago
• kiranvad / pyMECSim
  Python Cyclic Voltammetry Simulator based on MECSim
  ☆25Updated 4 years ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 4 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated last month
• pauliacomi / awesome-adsorption
  Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.
  ☆29Updated 2 years ago
• stanfordbshan / CompMatBook
  Computational Materials Science(Book)
  ☆110Updated last month
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆302Updated last month
• oekosheri / GB_code
  A grain boundary generation code
  ☆79Updated 2 years ago
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆69Updated last month
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆145Updated last year
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆160Updated 2 years ago
• oliverrdz / SoftPotato_Desktop
  Open source electrochemistry simulator of typical techniques (CV, CA) and GUI.
  ☆24Updated 3 years ago
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆184Updated this week
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆168Updated 2 months ago
• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆287Updated last year
• 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…
  ☆57Updated 6 years ago
• CMMRLab / LUNAR
  ☆50Updated this week
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆49Updated 6 years ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 3 years ago
• hitliaomq / ElasticPOST
  POST code for second order elastic constant
  ☆46Updated 5 years ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆128Updated 2 months ago
• MabinogiX / VASP-script
  ☆127Updated 6 years ago