Alternatives and similar repositories for fafoom

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

• qzhu2017 / PyXtal_ml
  a Python3 library for ML modeling materials properties
  ☆11Updated 6 years ago
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 7 years ago
• nlesc-nano / swan
  Statistical models to predict new materials
  ☆14Updated 2 years ago
• ilyak / libefp
  Parallel implementation of the Effective Fragment Potential Method
  ☆26Updated 4 months ago
• Masterluke87 / psixas
  A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)
  ☆11Updated last year
• aoterodelaroza / refdata
  Benchmark data for density-functional theory method development.
  ☆18Updated 2 months ago
• SCM-NV / nano-qmflows
  Package containing several workflows to compute molecular properties for nanomaterials
  ☆12Updated last year
• materialyzeai / nano266
  Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
  ☆22Updated last year
• leelasd / LigParGen_2.3
  LigParGen python package version 2.3 (beta)
  ☆13Updated 9 months ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆33Updated 6 months ago
• PHOTOX / ABIN
  Multipurpose ab initio MD program.
  ☆12Updated last month
• aoterodelaroza / postg
  Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.
  ☆23Updated 8 months ago
• dylan-jayatilaka / tonto
  for Quantum Crystallography
  ☆27Updated 2 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated last year
• fevangelista / vmd_cube
  A Python script for rendering cube files generated by Psi4
  ☆19Updated 10 months ago
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated last year
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆26Updated 5 years ago
• jcerezochem / fcc_tools
  Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)
  ☆15Updated 2 weeks ago
• virtualzx-nad / pypackmol
  Python wrapper for packmol molecule packing program
  ☆12Updated 10 years ago
• qcscine / swoose
  ☆15Updated 4 months ago
• thynnine / pysic
  Python library for advanced atomistic simulations
  ☆23Updated 8 years ago
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆19Updated 4 months ago
• USCCACS / QXMD
  QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
  ☆14Updated last year
• zorkzou / Molden2AIM
  Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
  ☆59Updated 6 months ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆18Updated 2 months ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 6 years ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆52Updated 2 years ago
• molmod / QuickFF
  A Python code to quickly derive ab initio parameterized force fields.
  ☆44Updated 2 years ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆36Updated 2 years ago