Alternatives and similar repositories for doi:

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

• geem-lab / pnictogen
  ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
  ☆17Updated 5 years ago
• livecomsjournal / article_templates
  Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)
  ☆9Updated 2 years ago
• hpc-carpentry / hpc-python
  HPC Python lesson materials
  ☆58Updated 2 years ago
• ekwan / PyQuiver
  kinetic isotope effect prediction with Gaussian
  ☆15Updated last year
• HECBioSim / Longbow
  Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…
  ☆17Updated 5 years ago
• workflowscommunity / workflowscommunity.github.io
  Source code for the https://workflows.community website
  ☆16Updated this week
• berquist / pymolresponse
  Molecular frequency-dependent response properties for arbitrary operators
  ☆10Updated this week
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆43Updated last year
• openjournals / whedon
  Command-line utilities to manage JOSS submissions. May one day be a sentient being.
  ☆27Updated 9 months ago
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆36Updated 7 months ago
• jaimergp / fixbibtex
  Fix BibTeX databases with Crossref metadata
  ☆9Updated 6 years ago
• digital-chemistry-laboratory / libconeangle
  Library for calculating exact ligand cone angles
  ☆12Updated 2 years ago
• AndreHAM / Thermodynamics-and-Statistical-Physics
  Codes and tutorials on thermodynamics and statistical physics
  ☆14Updated last year
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆20Updated last week
• mfherbst / course_julia_day
  Notes for getting to know the Julia programming language in one day.
  ☆38Updated 2 years ago
• Edinburgh-Chemistry-Teaching / Data-driven-chemistry
  ☆24Updated last year
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆16Updated 2 years ago
• fekad / jupyter-jsmol
  This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
  ☆33Updated last year
• grimme-lab / orca.vim
  Syntax highlighting for Orca input files in vim
  ☆15Updated 2 years ago
• geem-lab / orcinus
  🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package
  ☆8Updated 3 years ago
• aoterodelaroza / nciplot
  Non-covalent index plots in molecular systems.
  ☆20Updated 7 years ago
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 3 months ago
• PHOTOX / ABIN
  Multipurpose ab initio MD program.
  ☆9Updated last week
• jeanwsr / pyAutoMR
  Automatic MR based on PySCF
  ☆9Updated 3 months ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆43Updated 2 months ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆25Updated this week
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 14 years ago
• NIH-HPC / python-in-hpc
  Materials for a Python in HPC class
  ☆33Updated 4 years ago
• ElsevierSoftwareX / SOFTX-D-16-00070
  python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…
  ☆13Updated 8 years ago
• insilichem / esigen
  Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io
  ☆21Updated 6 years ago