Alternatives and similar repositories for CN-related-SACs:

Users that are interested in CN-related-SACs are comparing it to the libraries listed below

• XuhaoWan / HEA-ORR
  ☆19Updated 5 months ago
• XuhaoWan / HEA-LM
  ☆19Updated 2 years ago
• XuhaoWan / Pc_CO2RR_ML
  ☆25Updated 3 years ago
• joelager / Electrocatalysis-microkinetic-analysis
  Microkinetic models for electrochemical CO stripping and hydrogen oxidation
  ☆13Updated 4 years ago
• XuhaoWan / DMCP
  ☆232Updated last year
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆54Updated 2 years ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆23Updated 4 years ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆27Updated last year
• spenser-lu / RASPA_tools
  适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合，可用于并行计算等温线、高通量模拟，zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…
  ☆48Updated 3 weeks ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 4 months ago
• penghao-xiao / Electrochemical-barrier
  ☆25Updated 2 years ago
• mbkumar / pycdt
  ☆50Updated 2 years ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆32Updated 6 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 5 years ago
• bigbrosci / q-robot
  ☆24Updated last week
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆37Updated this week
• VASPsol / VASPsol
  ☆47Updated last week
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated 2 months ago
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆50Updated last month
• mzkhalid039 / DWBuilder
  Ferroelectric/Ferroelastic domain wall builder
  ☆17Updated 6 months ago
• ponychen123 / Vasptools
  some toolkits for VASP
  ☆29Updated 3 years ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆116Updated 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.
  ☆23Updated 2 weeks ago
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆29Updated this week
• maituoy / BayesianOpt4dftu
  ☆38Updated last year
• ryyesterday / VASP
  A collection of scripts to interpret/organize VASP output files
  ☆23Updated 8 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆57Updated 2 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated last year
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆22Updated last year
• mogroupumd / aimd
  ☆41Updated 6 years ago