Alternatives and similar repositories for dp-tutorial

Users that are interested in dp-tutorial are comparing it to the libraries listed below

• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆74Updated 6 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆95Updated 5 months ago
• VASPsol / VASPsol
  ☆73Updated 8 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆40Updated last year
• MabinogiX / VASP-script
  ☆127Updated 6 years ago
• core-cof / CoRE-COF-Database
  ☆63Updated 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
• bigd4 / PyNEP
  A python interface of NEP
  ☆66Updated last month
• 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
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆18Updated 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
  ☆65Updated last month
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆100Updated 3 years ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆62Updated 6 months ago
• mlcclab / PyRAI2MD-hiam
  Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
  ☆22Updated last month
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆95Updated this week
• stanfordbshan / CompMatBook
  Computational Materials Science(Book)
  ☆110Updated last month
• BigBroSci-LVTHW / LVTHW
  ☆60Updated last year
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆160Updated 2 years ago
• maituoy / BayesianOpt4dftu
  ☆41Updated last year
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆116Updated last year
• tobacco-mofs / tobacco_3.0
  ☆66Updated 4 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆67Updated last year
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• liyuanhe211 / Energy_Diagram_Plotter_CDXML
  A tool to create pixel-accurate energy diagrams as ChemDraw object
  ☆73Updated 10 months ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆40Updated last week
• mertyigit / INDEEDopt
  An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.
  ☆29Updated 2 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆55Updated last week
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated 2 years ago