Alternatives and similar repositories for libgmxfort:

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

• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆84Updated 2 weeks ago
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 3 years ago
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆36Updated last month
• Allen-Tildesley / corrections
  Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…
  ☆31Updated last year
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• TinkerTools / tinker-hp
  Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
  ☆85Updated 4 months ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆86Updated 2 years ago
• MDAnalysis / pmda
  Parallel algorithms for MDAnalysis
  ☆31Updated 7 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.
  ☆52Updated 11 months ago
• votca / votca
  The source of the votca-csg and xtp packages
  ☆48Updated last month
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 6 years ago
• TUHH-TVT / openCOSMO-RS_py
  ☆64Updated last week
• aa840 / ModSeminario_Py
  Python version of the modified Seminario method code
  ☆16Updated 4 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 2 weeks ago
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆60Updated 9 months ago
• selimsami / qforce
  ☆57Updated 3 months ago
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆22Updated last month
• tblite / tblite
  Light-weight tight-binding framework
  ☆107Updated this week
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆42Updated 2 years ago
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated last month
• zadorlab / KinBot
  Automated reaction pathway search for gas-phase molecules
  ☆53Updated 2 weeks ago
• Masterluke87 / psixas
  A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)
  ☆11Updated 9 months ago
• molmod / QuickFF
  A Python code to quickly derive ab initio parameterized force fields.
  ☆41Updated last year
• degiacom / assemble
  a tool for creating Molecular Dynamics-ready models of polymeric systems
  ☆22Updated 6 years ago
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆28Updated 3 years ago
• genesis-release-r-ccs / genesis
  Source, test set, and document for Molecular Dynamics software, GENESIS.
  ☆31Updated 2 weeks ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆115Updated 2 years ago
• TApplencourt / EMSL_Basis_Set_Exchange_Local
  Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.
  ☆16Updated 7 years ago
• lvpp / pysac
  Pairwise interaction segment activity coefficients, reference implementation in Python
  ☆15Updated 10 months ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆55Updated last month