Alternatives and similar repositories for Energy_Diagram_Plotter_CDXML

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

• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆79Updated last year
• ricalmang / mechaSVG
  Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
  ☆77Updated 4 years ago
• 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
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated last week
• liyuanhe211 / Chemical_Kinetics_Calculator
  A simple program to solve the Eyring Equation and first/second order kinetics.
  ☆20Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆64Updated last week
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆18Updated 11 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 9 months ago
• digital-chemistry-laboratory / multiwfn-mac-build
  A build recipe for Multiwfn on MacOS
  ☆31Updated this week
• tobacco-mofs / tobacco_3.0
  ☆54Updated 4 years ago
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆32Updated last week
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆36Updated this week
• polyluxus / tools-for-g16.bash
  A collection of tools for the help with Gaussian 16.
  ☆30Updated 5 years ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆91Updated 2 weeks ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆76Updated 3 months ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• Isra3l / ligpargen
  ☆66Updated 5 months ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆33Updated 4 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆48Updated 3 years ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆58Updated 2 weeks ago
• zhangylch / REANN
  ☆59Updated 5 months ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆36Updated 2 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆51Updated 3 years ago
• Warlocat / A-Not-So-Short-Guide-for-LinJun-Group
  浙江大学王林军课题组入门指南
  ☆74Updated 5 years ago
• zhaoqy1996 / YARP
  ☆43Updated 2 years ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆37Updated 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…
  ☆55Updated 5 years ago
• patonlab / Kinisot
  Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation
  ☆22Updated last year
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆41Updated last year