Alternatives and similar repositories for A-Not-So-Short-Guide-for-LinJun-Group

Users that are interested in A-Not-So-Short-Guide-for-LinJun-Group are comparing it to the libraries listed below

• yangjunjie0320 / hf-tutorial
  ☆37Updated 2 years ago
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆23Updated 5 months ago
• zhangylch / REANN
  ☆59Updated 6 months ago
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• RimoAccelerator / KST48
  ☆20Updated 4 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 3 weeks ago
• liyuanhe211 / Energy_Diagram_Plotter_CDXML
  A tool to create pixel-accurate energy diagrams as ChemDraw object
  ☆65Updated 4 months ago
• BigBroSci-LVTHW / LVTHW
  ☆56Updated 6 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• NominHanggai / szaboqc
  《现代量子化学》汉化版
  ☆147Updated 3 months ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆94Updated 4 months ago
• MabinogiX / VASP-script
  ☆120Updated 6 years ago
• Xiaoxun-Gong / DeepH-E3
  ☆97Updated 2 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆52Updated 3 years ago
• MCresearch / abacus-user-guide
  ABACUS开源软件的中文用户文档
  ☆25Updated last week
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆62Updated last year
• liyuanhe211 / Solution_for_Every_Gaussian_Error_Message
  Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…
  ☆79Updated 2 years ago
• chenggroup / chenggroup.github.io
  XMU Chenglab Wiki
  ☆87Updated 3 weeks ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆80Updated last year
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆93Updated this week
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
  ☆77Updated 2 weeks ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆62Updated 10 months ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆95Updated 3 years ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆134Updated last year
• MabinogiX / dp-tutorial
  ☆16Updated 2 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
  ☆55Updated 3 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