Alternatives and similar repositories for SSAGES

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

• jhrmnn / pyberny
  Molecular structure optimizer
  ☆122Updated 2 years ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆180Updated 5 months ago
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆81Updated last year
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆130Updated this week
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆29Updated 3 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆88Updated 3 weeks ago
• TinkerTools / tinker-hp
  Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
  ☆92Updated 2 weeks ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆112Updated last month
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆83Updated this week
• eljost / pysisyphus
  Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
  ☆115Updated 3 weeks ago
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆65Updated last year
• votca / votca
  The source of the votca-csg and xtp packages
  ☆49Updated last week
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆73Updated last month
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆67Updated 2 months ago
• 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.
  ☆53Updated last year
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆82Updated 2 weeks ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆58Updated last month
• leeping / forcebalance
  Systematic force field optimization.
  ☆151Updated 7 months ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆81Updated 3 weeks ago
• libmbd / libmbd
  Many-body dispersion library
  ☆55Updated 9 months ago
• cagrikymk / JAX-ReaxFF
  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
  ☆65Updated 9 months ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆137Updated last month
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆97Updated 5 months ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆33Updated 2 years ago
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆119Updated 3 months ago
• selimsami / qforce
  ☆60Updated this week
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆44Updated 2 years ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆69Updated this week
• robashaw / geomConvert
  A python utility to convert between XYZ and Z-matrix geometries.
  ☆41Updated 2 years ago
• tblite / tblite
  Light-weight tight-binding framework
  ☆145Updated last month