Alternatives and similar repositories for pygamd-v1

Users that are interested in pygamd-v1 are comparing it to the libraries listed below

• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated last year
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆37Updated 2 years ago
• Isra3l / ligpargen
  ☆74Updated 10 months ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆33Updated 2 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆71Updated last year
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆113Updated this week
• samuelymei / freeenergy
  ☆41Updated last month
• XinChenQC / MEPplot
  A GUI program for plotting Minimal energy path on potential energy surface.
  ☆38Updated 4 years ago
• cc-ats / mlp_tutorial
  ☆30Updated last year
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆20Updated last year
• MSM-RAD-X-VMD-Plugin / PACKMOL-GUI
  An Integrated VMD Graphical User Interface for Molecular Packing
  ☆27Updated 10 months ago
• Martini-Force-Field-Initiative / M3-Small-Molecules
  Martini 3 small molecule database
  ☆66Updated 3 weeks ago
• zhaoqy1996 / YARP
  ☆48Updated 3 years ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆68Updated 5 months ago
• GOMC-WSU / py-MCMD
  This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
  ☆43Updated 2 weeks ago
• bio-phys / cnt-gaff
  Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…
  ☆24Updated 5 years ago
• dspoel / Toy-MD
  Python code for learning Molecular Dynamics simulations
  ☆53Updated 4 years ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆40Updated 4 months ago
• z-gong / mstk
  Molecular simulation toolkit
  ☆18Updated last month
• invemichele / masterclass-22-03
  Repository of the data for PLUMED Masterclass 22.3
  ☆14Updated last year
• luigibonati / mlcolvar
  A unified framework for machine learning collective variables for enhanced sampling simulations
  ☆125Updated last month
• Iourarum / GOPY
  ☆30Updated 2 years ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆58Updated 3 weeks ago
• mssm-labmmol / pypolybuilder
  ☆28Updated 3 years ago
• agiliopadua / compute_fep
  Free energy perturbation in LAMMPS.
  ☆23Updated 4 years ago
• CMMRLab / LUNAR
  ☆48Updated this week
• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆25Updated 5 months ago
• RagnarB83 / ash
  ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…
  ☆91Updated this week
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆43Updated last year