Alternatives and similar repositories for tinker

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

• leeping / forcebalance
  Systematic force field optimization.
  ☆152Updated 10 months ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆114Updated 4 months ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆187Updated 2 years ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆231Updated last week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated last week
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆115Updated 6 years ago
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆134Updated last week
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆220Updated last month
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆126Updated last month
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆199Updated last week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆159Updated last week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆204Updated this week
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆155Updated last week
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆124Updated 2 years ago
• qubekit / QUBEKit
  Quantum Mechanical Bespoke Force Field Derivation Toolkit
  ☆101Updated last year
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated last month
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆79Updated last week
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆270Updated last month
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆68Updated 7 months ago
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆179Updated last month
• lab-cosmo / chemiscope
  An interactive structure/property explorer for materials and molecules
  ☆158Updated this week
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆96Updated 2 years ago
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆64Updated 2 years ago
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆139Updated 3 weeks ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• RagnarB83 / ash
  ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…
  ☆86Updated last week
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆186Updated 3 weeks ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆121Updated 3 weeks ago